Skipping 778 KB..
Full Logsrc/ScriptTcl.C:725:55: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp, "wrong # args", TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_config(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:801:66: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"error parsing config file",TCL_VOLATILE);
^
src/ScriptTcl.C:816:66: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"error parsing config file",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_isset_config(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:826:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_istrue_config(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:853:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/ScriptTcl.C:861:67: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"parameter value is not set",TCL_VOLATILE);
^
src/ScriptTcl.C:866:71: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"parameter value is not boolean",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_istrue_param(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:876:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/ScriptTcl.C:884:58: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"unknown parameter",TCL_VOLATILE);
^
src/ScriptTcl.C:888:65: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"parameter is not boolean",TCL_VOLATILE);
^
src/ScriptTcl.C:892:67: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"parameter value is not set",TCL_VOLATILE);
^
src/ScriptTcl.C:896:64: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"bug in Tcl_istrue_param",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_isset_param(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:906:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/ScriptTcl.C:914:58: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"unknown parameter",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_param(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:924:79: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args for NAMD config parameter",TCL_VOLATILE);
^
src/ScriptTcl.C:930:90: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"parameter name too long for NAMD config parameter",TCL_VOLATILE);
^
src/ScriptTcl.C:942:86: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"parameter unknown for NAMD config parameter",TCL_VOLATILE);
^
src/ScriptTcl.C:951:91: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"parameter value too long for NAMD config parameter",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_reinitvels(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:970:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_rescalevels(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:987:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_run(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:1004:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"too few args",TCL_VOLATILE);
^
src/ScriptTcl.C:1008:54: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"too many args",TCL_VOLATILE);
^
src/ScriptTcl.C:1017:46: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
"first arg not norepeat",TCL_VOLATILE);
^
src/ScriptTcl.C:1027:77: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"number of steps must be non-negative",TCL_VOLATILE);
^
src/ScriptTcl.C:1032:90: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"firstTimestep must be a multiple of stepsPerCycle",TCL_VOLATILE);
^
src/ScriptTcl.C:1036:92: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"number of steps must be a multiple of stepsPerCycle",TCL_VOLATILE);
^
src/ScriptTcl.C:1040:107: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"run called with minimization enabled; use minimize command instead",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_minimize(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:1066:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/ScriptTcl.C:1074:77: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"number of steps must be non-negative",TCL_VOLATILE);
^
src/ScriptTcl.C:1079:90: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"firstTimestep must be a multiple of stepsPerCycle",TCL_VOLATILE);
^
src/ScriptTcl.C:1083:92: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"number of steps must be a multiple of stepsPerCycle",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_moveallby(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:1108:55: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp, "wrong # args", TCL_VOLATILE);
^
src/ScriptTcl.C:1120:62: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"argument not a vector",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_move(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:1139:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/ScriptTcl.C:1147:82: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"syntax is 'move <id> to|by {<x> <y> <z>}'",TCL_VOLATILE);
^
src/ScriptTcl.C:1157:68: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"third argument not a vector",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_output(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:1185:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"too few args",TCL_VOLATILE);
^
src/ScriptTcl.C:1189:54: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"too many args",TCL_VOLATILE);
^
src/ScriptTcl.C:1194:59: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"file name too long",TCL_VOLATILE);
^
src/ScriptTcl.C:1207:62: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
"first arg not withforces or onlyforces",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_measure(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:1246:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_colvarbias(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:1273:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/ScriptTcl.C:1278:66: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"colvars module not active",TCL_VOLATILE);
^
src/ScriptTcl.C:1290:82: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"energydiff requires a previous timestep",TCL_VOLATILE);
^
src/ScriptTcl.C:1302:69: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"unknown colvarbias operation",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_colvarvalue(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:1315:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/ScriptTcl.C:1320:66: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"colvars module not active",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_colvarfreq(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:1366:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/ScriptTcl.C:1371:66: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"colvars module not active",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_colvars(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:1388:66: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"colvars module not active",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_checkpoint(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:1413:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_revert(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:1427:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_checkpointReplica(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:1452:74: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"args: <key> ?<replica> or global?",TCL_VOLATILE);
^
src/ScriptTcl.C:1461:76: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"args: <key> ?<replica> or global?",TCL_VOLATILE);
^
src/ScriptTcl.C:1467:115: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"replicaUniformPatchGrids is required for checkpointing on other replicas",TCL_VOLATILE);
^
src/ScriptTcl.C:450:63: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"negative replica index",TCL_VOLATILE); \
^
src/ScriptTcl.C:1472:3: note: in expansion of macro 'CHECK_REPLICA'
CHECK_REPLICA(replica);
^
src/ScriptTcl.C:454:67: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"non-existent replica index",TCL_VOLATILE); \
^
src/ScriptTcl.C:1472:3: note: in expansion of macro 'CHECK_REPLICA'
CHECK_REPLICA(replica);
^
src/ScriptTcl.C:1485:100: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"checkpointStore/Load/Swap/Free called via unrecognized name",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_replicaDcdFile(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:1495:94: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"replicaDcdFile not supported in memory-optimized builds",TCL_VOLATILE);
^
src/ScriptTcl.C:1503:71: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"args: <index>|off ?<filename>?",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_callback(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:1520:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_reinitatoms(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:1554:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_reloadStructure(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:1907:60: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"unknown structure",TCL_VOLATILE);
^
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/pub3dfft.o -c src/pub3dfft.C
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/vmdsock.o -c src/vmdsock.C
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/parm.o -c src/parm.C
src/parm.C: In member function 'int parm::readparm(char*)':
src/parm.C:184:27: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
if (!moveto(file,"TITLE"))
^
src/parm.C:194:31: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
{ if (!moveto(file,"POINTERS"))
^
src/parm.C:318:31: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
if (!moveto(file,"ATOM_NAME"))
^
src/parm.C:332:28: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
if (!moveto(file,"CHARGE"))
^
src/parm.C:350:26: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
if (!moveto(file,"MASS"))
^
src/parm.C:368:38: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
{ if (!moveto(file,"ATOM_TYPE_INDEX"))
^
src/parm.C:389:44: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
{ if (!moveto(file,"NUMBER_EXCLUDED_ATOMS"))
^
src/parm.C:410:43: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
{ if (!moveto(file,"NONBONDED_PARM_INDEX"))
^
src/parm.C:431:35: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
if (!moveto(file,"RESIDUE_LABEL"))
^
src/parm.C:443:38: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
{ if (!moveto(file,"RESIDUE_POINTER"))
^
src/parm.C:465:41: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
if (!moveto(file,"BOND_FORCE_CONSTANT"))
^
src/parm.C:483:38: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
if (!moveto(file,"BOND_EQUIL_VALUE"))
^
src/parm.C:501:42: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
if (!moveto(file,"ANGLE_FORCE_CONSTANT"))
^
src/parm.C:519:39: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
if (!moveto(file,"ANGLE_EQUIL_VALUE"))
^
src/parm.C:537:45: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
if (!moveto(file,"DIHEDRAL_FORCE_CONSTANT"))
^
src/parm.C:555:42: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
if (!moveto(file,"DIHEDRAL_PERIODICITY"))
^
src/parm.C:573:36: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
if (!moveto(file,"DIHEDRAL_PHASE"))
^
src/parm.C:591:27: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
if (!moveto(file,"SOLTY"))
^
src/parm.C:610:41: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
if (!moveto(file,"LENNARD_JONES_ACOEF"))
^
src/parm.C:629:41: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
if (!moveto(file,"LENNARD_JONES_BCOEF"))
^
src/parm.C:650:41: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
{ if (!moveto(file,"BONDS_INC_HYDROGEN"))
^
src/parm.C:682:45: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
{ if (!moveto(file,"BONDS_WITHOUT_HYDROGEN"))
^
src/parm.C:715:42: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
{ if (!moveto(file,"ANGLES_INC_HYDROGEN"))
^
src/parm.C:750:46: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
{ if (!moveto(file,"ANGLES_WITHOUT_HYDROGEN"))
^
src/parm.C:786:45: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
{ if (!moveto(file,"DIHEDRALS_INC_HYDROGEN"))
^
src/parm.C:823:49: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
{ if (!moveto(file,"DIHEDRALS_WITHOUT_HYDROGEN"))
^
src/parm.C:855:42: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
{ if (!moveto(file,"EXCLUDED_ATOMS_LIST"))
^
src/parm.C:876:33: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
if (!moveto(file,"HBOND_ACOEF"))
^
src/parm.C:894:33: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
if (!moveto(file,"HBOND_BCOEF"))
^
src/parm.C:912:27: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
if (!moveto(file,"HBCUT"))
^
src/parm.C:933:37: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
if (!moveto(file,"AMBER_ATOM_TYPE"))
^
src/parm.C:945:47: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
if (!moveto(file,"TREE_CHAIN_CLASSIFICATION"))
^
src/parm.C:957:33: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
{ if (!moveto(file,"JOIN_ARRAY"))
^
src/parm.C:980:29: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
{ if (!moveto(file,"IROTAT"))
^
src/parm.C:1009:40: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
{ if (!moveto(file,"SOLVENT_POINTERS"))
^
src/parm.C:1034:42: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
{ if (!moveto(file,"ATOMS_PER_MOLECULE"))
^
src/parm.C:1050:37: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
if (!moveto(file,"BOX_DIMENSIONS"))
^
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/imd.o -c src/imd.C
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/CompressPsf.o -c src/CompressPsf.C
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/PluginIOMgr.o -c src/PluginIOMgr.C
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/DataExchanger.o -c src/DataExchanger.C
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/ParallelIOMgr.o -c src/ParallelIOMgr.C
/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/bin/nvcc -O3 -ftz=true --maxrregcount 48 -arch sm_35 -Xcompiler "-m64" -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -Xptxas -v -o obj/ComputeNonbondedCUDAKernel.o -c `echo src/`ComputeNonbondedCUDAKernel.cu
In file included from inc/CudaPmeSolver.decl.h:7:0,
from inc/ComputePmeCUDAMgr.decl.h:7,
from inc/main.decl.h:109,
from src/WorkDistrib.C:30:
inc/PmeSolver.decl.h:2007:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/PmeSolver.h:167:3: note: in expansion of macro 'PmePencilXY_SDAG_CODE'
PmePencilXY_SDAG_CODE
^
inc/PmeSolver.decl.h:2519:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/PmeSolver.h:194:3: note: in expansion of macro 'PmePencilX_SDAG_CODE'
PmePencilX_SDAG_CODE
^
inc/PmeSolver.decl.h:2995:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/PmeSolver.h:221:3: note: in expansion of macro 'PmePencilY_SDAG_CODE'
PmePencilY_SDAG_CODE
^
inc/PmeSolver.decl.h:3607:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/PmeSolver.h:249:3: note: in expansion of macro 'PmePencilZ_SDAG_CODE'
PmePencilZ_SDAG_CODE
^
In file included from inc/main.decl.h:109:0,
from src/WorkDistrib.C:30:
inc/ComputePmeCUDAMgr.decl.h:2086:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/ComputePmeCUDAMgr.h:432:3: note: in expansion of macro 'ComputePmeCUDAMgr_SDAG_CODE'
ComputePmeCUDAMgr_SDAG_CODE;
^
/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/bin/nvcc -O3 -ftz=true --maxrregcount 48 -arch sm_35 -Xcompiler "-m64" -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -Xptxas -v -o obj/ComputePmeCUDAKernel.o -c `echo src/`ComputePmeCUDAKernel.cu
/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/bin/nvcc -O3 -ftz=true --maxrregcount 48 -arch sm_35 -Xcompiler "-m64" -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -Xptxas -v -o obj/CudaComputeGBISKernel.o -c `echo src/`CudaComputeGBISKernel.cu
/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/bin/nvcc -O3 -ftz=true --maxrregcount 48 -arch sm_35 -Xcompiler "-m64" -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -Xptxas -v -o obj/CudaComputeNonbondedKernel.o -c `echo src/`CudaComputeNonbondedKernel.cu
/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/bin/nvcc -O3 -ftz=true --maxrregcount 48 -arch sm_35 -Xcompiler "-m64" -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -Xptxas -v -o obj/CudaPmeSolverUtilKernel.o -c `echo src/`CudaPmeSolverUtilKernel.cu
ptxas info : 0 bytes gmem
ptxas info : Compiling entry function '_Z28cuda_pme_charges_batched_devILi8EEvPKfPKPfPiS5_PS2_S5_S5_S5_S5_' for 'sm_35'
ptxas info : Function properties for _Z28cuda_pme_charges_batched_devILi8EEvPKfPKPfPiS5_PS2_S5_S5_S5_S5_
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 37 registers, 1920 bytes smem, 392 bytes cmem[0], 4 bytes cmem[2]
ptxas info : Compiling entry function '_Z20cuda_pme_charges_devILi6EEvPKfPKPfPiS5_S2_iiii' for 'sm_35'
ptxas info : Function properties for _Z20cuda_pme_charges_devILi6EEvPKfPKPfPiS5_S2_iiii
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 37 registers, 1616 bytes smem, 376 bytes cmem[0], 12 bytes cmem[2]
ptxas info : Compiling entry function '_Z19cuda_pme_forces_devILi6EEvPKfPKPfS4_iii' for 'sm_35'
ptxas info : Function properties for _Z19cuda_pme_forces_devILi6EEvPKfPKPfS4_iii
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 48 registers, 5672 bytes smem, 356 bytes cmem[0], 12 bytes cmem[2]
ptxas info : Compiling entry function '_Z28cuda_pme_charges_batched_devILi4EEvPKfPKPfPiS5_PS2_S5_S5_S5_S5_' for 'sm_35'
ptxas info : Function properties for _Z28cuda_pme_charges_batched_devILi4EEvPKfPKPfPiS5_PS2_S5_S5_S5_S5_
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 40 registers, 1344 bytes smem, 392 bytes cmem[0]
ptxas info : Compiling entry function '_Z19cuda_pme_forces_devILi4EEvPKfPKPfS4_iii' for 'sm_35'
ptxas info : Function properties for _Z19cuda_pme_forces_devILi4EEvPKfPKPfS4_iii
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 48 registers, 5208 bytes smem, 356 bytes cmem[0]
ptxas info : Compiling entry function '_Z20cuda_pme_charges_devILi8EEvPKfPKPfPiS5_S2_iiii' for 'sm_35'
ptxas info : Function properties for _Z20cuda_pme_charges_devILi8EEvPKfPKPfPiS5_S2_iiii
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 35 registers, 1920 bytes smem, 376 bytes cmem[0], 4 bytes cmem[2]
ptxas info : Compiling entry function '_Z28cuda_pme_charges_batched_devILi6EEvPKfPKPfPiS5_PS2_S5_S5_S5_S5_' for 'sm_35'
ptxas info : Function properties for _Z28cuda_pme_charges_batched_devILi6EEvPKfPKPfPiS5_PS2_S5_S5_S5_S5_
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 38 registers, 1616 bytes smem, 392 bytes cmem[0], 12 bytes cmem[2]
ptxas info : Compiling entry function '_Z20cuda_pme_charges_devILi4EEvPKfPKPfPiS5_S2_iiii' for 'sm_35'
ptxas info : Function properties for _Z20cuda_pme_charges_devILi4EEvPKfPKPfPiS5_S2_iiii
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 38 registers, 1344 bytes smem, 376 bytes cmem[0]
ptxas info : Compiling entry function '_Z19cuda_pme_forces_devILi8EEvPKfPKPfS4_iii' for 'sm_35'
ptxas info : Function properties for _Z19cuda_pme_forces_devILi8EEvPKfPKPfS4_iii
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 48 registers, 6168 bytes smem, 356 bytes cmem[0]
ptxas info : Overriding global maxrregcount 48 with entry-specific value 40 computed using thread count
ptxas info : Overriding global maxrregcount 48 with entry-specific value 40 computed using thread count
ptxas info : Overriding global maxrregcount 48 with entry-specific value 40 computed using thread count
ptxas info : Overriding global maxrregcount 48 with entry-specific value 40 computed using thread count
/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/bin/nvcc -O3 -ftz=true --maxrregcount 48 -arch sm_35 -Xcompiler "-m64" -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -Xptxas -v -o obj/CudaTileListKernel.o -c `echo src/`CudaTileListKernel.cu
/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/bin/nvcc -O3 -ftz=true --maxrregcount 48 -arch sm_35 -Xcompiler "-m64" -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -Xptxas -v -o obj/DeviceCUDAkernel.o -c `echo src/`DeviceCUDAkernel.cu
ptxas info : 0 bytes gmem, 8192 bytes cmem[3]
ptxas info : Compiling entry function '_Z13dev_nonbondedPK10patch_pairPK4atomPK10atom_paramPKiPjP6float4SC_SC_SC_PfSD_SD_SD_SA_PiPKjiiiSE_P8exclmaski6float3SJ_SJ_ffi' for 'sm_35'
ptxas info : Function properties for _Z13dev_nonbondedPK10patch_pairPK4atomPK10atom_paramPKiPjP6float4SC_SC_SC_PfSD_SD_SD_SA_PiPKjiiiSE_P8exclmaski6float3SJ_SJ_ffi
8 bytes stack frame, 8 bytes spill stores, 20 bytes spill loads
ptxas info : Used 40 registers, 288 bytes smem, 540 bytes cmem[0], 12 bytes cmem[2], 2 textures
ptxas info : Compiling entry function '_Z22dev_nonbonded_pairlistPK10patch_pairPK4atomPK10atom_paramPKiPjP6float4SC_SC_SC_PfSD_SD_SD_SA_PiPKjiiiSE_P8exclmaski6float3SJ_SJ_ffi' for 'sm_35'
ptxas info : Function properties for _Z22dev_nonbonded_pairlistPK10patch_pairPK4atomPK10atom_paramPKiPjP6float4SC_SC_SC_PfSD_SD_SD_SA_PiPKjiiiSE_P8exclmaski6float3SJ_SJ_ffi
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 47 registers, 1648 bytes smem, 540 bytes cmem[0], 12 bytes cmem[2], 2 textures
ptxas info : Compiling entry function '_Z18dev_nonbonded_slowPK10patch_pairPK4atomPK10atom_paramPKiPjP6float4SC_SC_SC_PfSD_SD_SD_SA_PiPKjiiiSE_P8exclmaski6float3SJ_SJ_ffi' for 'sm_35'
ptxas info : Function properties for _Z18dev_nonbonded_slowPK10patch_pairPK4atomPK10atom_paramPKiPjP6float4SC_SC_SC_PfSD_SD_SD_SA_PiPKjiiiSE_P8exclmaski6float3SJ_SJ_ffi
56 bytes stack frame, 220 bytes spill stores, 204 bytes spill loads
ptxas info : Used 40 registers, 480 bytes smem, 540 bytes cmem[0], 12 bytes cmem[2], 2 textures
ptxas info : Compiling entry function '_Z27dev_nonbonded_slow_pairlistPK10patch_pairPK4atomPK10atom_paramPKiPjP6float4SC_SC_SC_PfSD_SD_SD_SA_PiPKjiiiSE_P8exclmaski6float3SJ_SJ_ffi' for 'sm_35'
ptxas info : Function properties for _Z27dev_nonbonded_slow_pairlistPK10patch_pairPK4atomPK10atom_paramPKiPjP6float4SC_SC_SC_PfSD_SD_SD_SA_PiPKjiiiSE_P8exclmaski6float3SJ_SJ_ffi
32 bytes stack frame, 44 bytes spill stores, 116 bytes spill loads
ptxas info : Used 48 registers, 3232 bytes smem, 540 bytes cmem[0], 20 bytes cmem[2], 2 textures
ptxas info : Compiling entry function '_Z14GBIS_P2_KernelPK10patch_pairPK4atomPKfPfS7_fffffff6float3S8_S8_iiP6float4SA_S7_S7_Pj' for 'sm_35'
ptxas info : Function properties for _Z14GBIS_P2_KernelPK10patch_pairPK4atomPKfPfS7_fffffff6float3S8_S8_iiP6float4SA_S7_S7_Pj
8 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 46 registers, 2112 bytes smem, 472 bytes cmem[0], 40 bytes cmem[2]
ptxas info : Compiling entry function '_Z25dev_nonbonded_slow_energyPK10patch_pairPK4atomPK10atom_paramPKiPjP6float4SC_SC_SC_PfSD_SD_SD_SA_PiPKjiiiSE_P8exclmaski6float3SJ_SJ_ffi' for 'sm_35'
ptxas info : Function properties for _Z25dev_nonbonded_slow_energyPK10patch_pairPK4atomPK10atom_paramPKiPjP6float4SC_SC_SC_PfSD_SD_SD_SA_PiPKjiiiSE_P8exclmaski6float3SJ_SJ_ffi
56 bytes stack frame, 244 bytes spill stores, 236 bytes spill loads
ptxas info : Used 40 registers, 480 bytes smem, 544 bytes cmem[0], 12 bytes cmem[2], 3 textures
ptxas info : Compiling entry function '_Z34dev_nonbonded_slow_energy_pairlistPK10patch_pairPK4atomPK10atom_paramPKiPjP6float4SC_SC_SC_PfSD_SD_SD_SA_PiPKjiiiSE_P8exclmaski6float3SJ_SJ_ffi' for 'sm_35'
ptxas info : Function properties for _Z34dev_nonbonded_slow_energy_pairlistPK10patch_pairPK4atomPK10atom_paramPKiPjP6float4SC_SC_SC_PfSD_SD_SD_SA_PiPKjiiiSE_P8exclmaski6float3SJ_SJ_ffi
32 bytes stack frame, 60 bytes spill stores, 144 bytes spill loads
ptxas info : Used 48 registers, 3232 bytes smem, 544 bytes cmem[0], 20 bytes cmem[2], 3 textures
ptxas info : Compiling entry function '_Z14GBIS_P1_KernelPK10patch_pairPK4atomPKfS6_PfS7_ff6float3S8_S8_Pj' for 'sm_35'
ptxas info : Function properties for _Z14GBIS_P1_KernelPK10patch_pairPK4atomPKfS6_PfS7_ff6float3S8_S8_Pj
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 42 registers, 576 bytes smem, 424 bytes cmem[0], 60 bytes cmem[2]
ptxas info : Compiling entry function '_Z20dev_nonbonded_energyPK10patch_pairPK4atomPK10atom_paramPKiPjP6float4SC_SC_SC_PfSD_SD_SD_SA_PiPKjiiiSE_P8exclmaski6float3SJ_SJ_ffi' for 'sm_35'
ptxas info : Function properties for _Z20dev_nonbonded_energyPK10patch_pairPK4atomPK10atom_paramPKiPjP6float4SC_SC_SC_PfSD_SD_SD_SA_PiPKjiiiSE_P8exclmaski6float3SJ_SJ_ffi
8 bytes stack frame, 8 bytes spill stores, 24 bytes spill loads
ptxas info : Used 40 registers, 288 bytes smem, 544 bytes cmem[0], 12 bytes cmem[2], 3 textures
ptxas info : Compiling entry function '_Z29dev_nonbonded_energy_pairlistPK10patch_pairPK4atomPK10atom_paramPKiPjP6float4SC_SC_SC_PfSD_SD_SD_SA_PiPKjiiiSE_P8exclmaski6float3SJ_SJ_ffi' for 'sm_35'
ptxas info : Function properties for _Z29dev_nonbonded_energy_pairlistPK10patch_pairPK4atomPK10atom_paramPKiPjP6float4SC_SC_SC_PfSD_SD_SD_SA_PiPKjiiiSE_P8exclmaski6float3SJ_SJ_ffi
8 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 48 registers, 1648 bytes smem, 544 bytes cmem[0], 12 bytes cmem[2], 3 textures
ptxas info : Compiling entry function '_Z14GBIS_P3_KernelPK10patch_pairPK4atomPKfS6_S6_fff6float3S7_S7_P6float4S9_Pj' for 'sm_35'
ptxas info : Function properties for _Z14GBIS_P3_KernelPK10patch_pairPK4atomPKfS6_S6_fff6float3S7_S7_P6float4S9_Pj
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 46 registers, 1600 bytes smem, 432 bytes cmem[0], 64 bytes cmem[2]
ptxas info : Overriding global maxrregcount 48 with entry-specific value 80 computed using thread count
ptxas info : Overriding global maxrregcount 48 with entry-specific value 80 computed using thread count
ptxas info : Overriding global maxrregcount 48 with entry-specific value 80 computed using thread count
ptxas info : Overriding global maxrregcount 48 with entry-specific value 80 computed using thread count
ptxas info : Overriding global maxrregcount 48 with entry-specific value 80 computed using thread count
ptxas info : Overriding global maxrregcount 48 with entry-specific value 80 computed using thread count
ptxas info : 1 bytes gmem
ptxas info : Compiling entry function '_Z11GBIS_KernelILb1ELb0ELi2EEviPK8TileListPKiPK15PatchPairRecordfffPK6float4f9GBISParamIXT1_EEPKfSE_SE_PfPS8_P20TileListVirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z11GBIS_KernelILb1ELb0ELi2EEviPK8TileListPKiPK15PatchPairRecordfffPK6float4f9GBISParamIXT1_EEPKfSE_SE_PfPS8_P20TileListVirialEnergy
8 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 58 registers, 464 bytes cmem[0], 44 bytes cmem[2]
ptxas info : Compiling entry function '_Z11GBIS_KernelILb0ELb0ELi3EEviPK8TileListPKiPK15PatchPairRecordfffPK6float4f9GBISParamIXT1_EEPKfSE_SE_PfPS8_P20TileListVirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z11GBIS_KernelILb0ELb0ELi3EEviPK8TileListPKiPK15PatchPairRecordfffPK6float4f9GBISParamIXT1_EEPKfSE_SE_PfPS8_P20TileListVirialEnergy
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 46 registers, 432 bytes cmem[0], 64 bytes cmem[2]
ptxas info : Compiling entry function '_Z11GBIS_KernelILb0ELb0ELi2EEviPK8TileListPKiPK15PatchPairRecordfffPK6float4f9GBISParamIXT1_EEPKfSE_SE_PfPS8_P20TileListVirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z11GBIS_KernelILb0ELb0ELi2EEviPK8TileListPKiPK15PatchPairRecordfffPK6float4f9GBISParamIXT1_EEPKfSE_SE_PfPS8_P20TileListVirialEnergy
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 49 registers, 464 bytes cmem[0], 44 bytes cmem[2]
ptxas info : Compiling entry function '_Z11GBIS_KernelILb1ELb1ELi2EEviPK8TileListPKiPK15PatchPairRecordfffPK6float4f9GBISParamIXT1_EEPKfSE_SE_PfPS8_P20TileListVirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z11GBIS_KernelILb1ELb1ELi2EEviPK8TileListPKiPK15PatchPairRecordfffPK6float4f9GBISParamIXT1_EEPKfSE_SE_PfPS8_P20TileListVirialEnergy
8 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 66 registers, 464 bytes cmem[0], 44 bytes cmem[2]
ptxas info : Compiling entry function '_Z11GBIS_KernelILb0ELb0ELi1EEviPK8TileListPKiPK15PatchPairRecordfffPK6float4f9GBISParamIXT1_EEPKfSE_SE_PfPS8_P20TileListVirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z11GBIS_KernelILb0ELb0ELi1EEviPK8TileListPKiPK15PatchPairRecordfffPK6float4f9GBISParamIXT1_EEPKfSE_SE_PfPS8_P20TileListVirialEnergy
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 42 registers, 432 bytes cmem[0], 60 bytes cmem[2]
ptxas info : Compiling entry function '_ZN3cub11EmptyKernelIvEEvv' for 'sm_35'
ptxas info : Function properties for _ZN3cub11EmptyKernelIvEEvv
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 2 registers, 320 bytes cmem[0]
ptxas info : Compiling entry function '_Z11GBIS_KernelILb0ELb1ELi2EEviPK8TileListPKiPK15PatchPairRecordfffPK6float4f9GBISParamIXT1_EEPKfSE_SE_PfPS8_P20TileListVirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z11GBIS_KernelILb0ELb1ELi2EEviPK8TileListPKiPK15PatchPairRecordfffPK6float4f9GBISParamIXT1_EEPKfSE_SE_PfPS8_P20TileListVirialEnergy
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 57 registers, 464 bytes cmem[0], 44 bytes cmem[2]
cc -Iplugins/molfile_plugin/src -Iplugins/include -DSTATIC_PLUGIN -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/dcdplugin.o -c -DVMDPLUGIN=molfile_dcdplugin plugins/molfile_plugin/src/dcdplugin.c
ptxas info : 0 bytes gmem
ptxas info : Compiling entry function '_Z21read_CUDA_ARCH_kernelPi' for 'sm_35'
ptxas info : Function properties for _Z21read_CUDA_ARCH_kernelPi
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 4 registers, 328 bytes cmem[0]
cc -Iplugins/molfile_plugin/src -Iplugins/include -DSTATIC_PLUGIN -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/jsplugin.o -c -DVMDPLUGIN=molfile_jsplugin plugins/molfile_plugin/src/jsplugin.c
cc -Iplugins/molfile_plugin/src -Iplugins/include -DSTATIC_PLUGIN -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/namdbinplugin.o -c -DVMDPLUGIN=molfile_namdbinplugin plugins/molfile_plugin/src/namdbinplugin.c
cc -Iplugins/molfile_plugin/src -Iplugins/include -DSTATIC_PLUGIN -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/pdbplugin.o -c -DVMDPLUGIN=molfile_pdbplugin plugins/molfile_plugin/src/pdbplugin.c
cc -Iplugins/molfile_plugin/src -Iplugins/include -DSTATIC_PLUGIN -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/psfplugin.o -c -DVMDPLUGIN=molfile_psfplugin plugins/molfile_plugin/src/psfplugin.c
cc -Isb/src -Iplugins/include -DSTATIC_PLUGIN -DPSFGEN_USEPLUGINS -I.rootdir/tcl/include -DNAMD_TCL -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -o obj/tcl_psfgen.o -c sb/src/tcl_psfgen.c
cc -Isb/src -Iplugins/include -DSTATIC_PLUGIN -DPSFGEN_USEPLUGINS -I.rootdir/tcl/include -DNAMD_TCL -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -o obj/charmm_file.o -c sb/src/charmm_file.c
cc -Isb/src -Iplugins/include -DSTATIC_PLUGIN -DPSFGEN_USEPLUGINS -I.rootdir/tcl/include -DNAMD_TCL -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -o obj/charmm_parse_topo_defs.o -c sb/src/charmm_parse_topo_defs.c
cc -Isb/src -Iplugins/include -DSTATIC_PLUGIN -DPSFGEN_USEPLUGINS -I.rootdir/tcl/include -DNAMD_TCL -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -o obj/extract_alias.o -c sb/src/extract_alias.c
cc -Isb/src -Iplugins/include -DSTATIC_PLUGIN -DPSFGEN_USEPLUGINS -I.rootdir/tcl/include -DNAMD_TCL -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -o obj/hash.o -c sb/src/hash.c
cc -Isb/src -Iplugins/include -DSTATIC_PLUGIN -DPSFGEN_USEPLUGINS -I.rootdir/tcl/include -DNAMD_TCL -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -o obj/hasharray.o -c sb/src/hasharray.c
cc -Isb/src -Iplugins/include -DSTATIC_PLUGIN -DPSFGEN_USEPLUGINS -I.rootdir/tcl/include -DNAMD_TCL -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -o obj/memarena.o -c sb/src/memarena.c
cc -Isb/src -Iplugins/include -DSTATIC_PLUGIN -DPSFGEN_USEPLUGINS -I.rootdir/tcl/include -DNAMD_TCL -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -o obj/pdb_file.o -c sb/src/pdb_file.c
cc -Isb/src -Iplugins/include -DSTATIC_PLUGIN -DPSFGEN_USEPLUGINS -I.rootdir/tcl/include -DNAMD_TCL -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -o obj/pdb_file_extract.o -c sb/src/pdb_file_extract.c
cc -Isb/src -Iplugins/include -DSTATIC_PLUGIN -DPSFGEN_USEPLUGINS -I.rootdir/tcl/include -DNAMD_TCL -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -o obj/psf_file.o -c sb/src/psf_file.c
cc -Isb/src -Iplugins/include -DSTATIC_PLUGIN -DPSFGEN_USEPLUGINS -I.rootdir/tcl/include -DNAMD_TCL -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -o obj/psf_file_extract.o -c sb/src/psf_file_extract.c
cc -Isb/src -Iplugins/include -DSTATIC_PLUGIN -DPSFGEN_USEPLUGINS -I.rootdir/tcl/include -DNAMD_TCL -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -o obj/topo_defs.o -c sb/src/topo_defs.c
cc -Isb/src -Iplugins/include -DSTATIC_PLUGIN -DPSFGEN_USEPLUGINS -I.rootdir/tcl/include -DNAMD_TCL -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -o obj/topo_mol.o -c sb/src/topo_mol.c
cc -Isb/src -Iplugins/include -DSTATIC_PLUGIN -DPSFGEN_USEPLUGINS -I.rootdir/tcl/include -DNAMD_TCL -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -o obj/topo_mol_output.o -c sb/src/topo_mol_output.c
cc -Isb/src -Iplugins/include -DSTATIC_PLUGIN -DPSFGEN_USEPLUGINS -I.rootdir/tcl/include -DNAMD_TCL -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -o obj/topo_mol_pluginio.o -c sb/src/topo_mol_pluginio.c
cc -Isb/src -Iplugins/include -DSTATIC_PLUGIN -DPSFGEN_USEPLUGINS -I.rootdir/tcl/include -DNAMD_TCL -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -o obj/stringhash.o -c sb/src/stringhash.c
src/sortreplicas.c: In function 'main':
src/sortreplicas.c:52:5: warning: incompatible implicit declaration of built-in function 'exit'
exit(-1);
^
src/sortreplicas.c:85:7: warning: incompatible implicit declaration of built-in function 'exit'
exit(-1);
^
src/sortreplicas.c:92:7: warning: incompatible implicit declaration of built-in function 'exit'
exit(-1);
^
src/sortreplicas.c:102:9: warning: incompatible implicit declaration of built-in function 'exit'
exit(-1);
^
src/sortreplicas.c:110:9: warning: incompatible implicit declaration of built-in function 'exit'
exit(-1);
^
src/sortreplicas.c:131:7: warning: incompatible implicit declaration of built-in function 'exit'
exit(-1);
^
src/sortreplicas.c:138:7: warning: incompatible implicit declaration of built-in function 'exit'
exit(-1);
^
src/sortreplicas.c:146:9: warning: incompatible implicit declaration of built-in function 'exit'
exit(-1);
^
src/sortreplicas.c:172:9: warning: incompatible implicit declaration of built-in function 'exit'
exit(-1);
^
src/sortreplicas.c:178:11: warning: incompatible implicit declaration of built-in function 'exit'
exit(-1);
^
src/sortreplicas.c:188:9: warning: incompatible implicit declaration of built-in function 'exit'
exit(-1);
^
src/sortreplicas.c:193:9: warning: incompatible implicit declaration of built-in function 'exit'
exit(-1);
^
src/sortreplicas.c:219:11: warning: incompatible implicit declaration of built-in function 'exit'
exit(-1);
^
src/sortreplicas.c:225:11: warning: incompatible implicit declaration of built-in function 'exit'
exit(-1);
^
src/sortreplicas.c:259:3: warning: incompatible implicit declaration of built-in function 'free'
free(frame.coords);
^
src/sortreplicas.c:281:3: warning: incompatible implicit declaration of built-in function 'exit'
exit(0);
^
cc -Isb/src -Iplugins/include -DSTATIC_PLUGIN -DPSFGEN_USEPLUGINS -I.rootdir/tcl/include -DNAMD_TCL -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -o obj/tcl_main.o -c sb/src/tcl_main.c
cc -Isb/src -Iplugins/include -DSTATIC_PLUGIN -DPSFGEN_USEPLUGINS -I.rootdir/tcl/include -DNAMD_TCL -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -o obj/sortreplicas.o -c src/sortreplicas.c
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/ComputeMoa.o -c src/ComputeMoa.C
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/ComputeMsm.o -c src/ComputeMsm.C
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/ComputeMsmSerial.o -c src/ComputeMsmSerial.C
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/ComputeFmmSerial.o -c src/ComputeFmmSerial.C
ptxas info : 1 bytes gmem, 8192 bytes cmem[3]
ptxas info : Compiling entry function '_Z20nonbondedForceKernelILb0ELb1ELb0ELb0ELb0EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z20nonbondedForceKernelILb0ELb1ELb0ELb0ELb0EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy
16 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 41 registers, 584 bytes cmem[0]
ptxas info : Compiling entry function '_Z20nonbondedForceKernelILb0ELb1ELb0ELb0ELb1EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z20nonbondedForceKernelILb0ELb1ELb0ELb0ELb1EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy
16 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 47 registers, 584 bytes cmem[0]
ptxas info : Compiling entry function '_Z20nonbondedForceKernelILb0ELb1ELb0ELb1ELb0EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z20nonbondedForceKernelILb0ELb1ELb0ELb1ELb0EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy
40 bytes stack frame, 24 bytes spill stores, 24 bytes spill loads
ptxas info : Used 48 registers, 584 bytes cmem[0], 8 bytes cmem[2]
ptxas info : Compiling entry function '_Z20nonbondedForceKernelILb0ELb1ELb0ELb1ELb1EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z20nonbondedForceKernelILb0ELb1ELb0ELb1ELb1EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy
56 bytes stack frame, 40 bytes spill stores, 56 bytes spill loads
ptxas info : Used 48 registers, 584 bytes cmem[0], 8 bytes cmem[2]
ptxas info : Compiling entry function '_Z20nonbondedForceKernelILb1ELb1ELb0ELb0ELb0EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z20nonbondedForceKernelILb1ELb1ELb0ELb0ELb0EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy
16 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 48 registers, 584 bytes cmem[0]
ptxas info : Compiling entry function '_Z20nonbondedForceKernelILb1ELb1ELb0ELb0ELb1EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z20nonbondedForceKernelILb1ELb1ELb0ELb0ELb1EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy
16 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 48 registers, 584 bytes cmem[0]
ptxas info : Compiling entry function '_Z20nonbondedForceKernelILb1ELb1ELb0ELb1ELb1EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z20nonbondedForceKernelILb1ELb1ELb0ELb1ELb1EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy
80 bytes stack frame, 60 bytes spill stores, 76 bytes spill loads
ptxas info : Used 48 registers, 584 bytes cmem[0], 8 bytes cmem[2]
ptxas info : Compiling entry function '_Z24reduceVirialEnergyKernelbbbiPK20TileListVirialEnergyP12VirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z24reduceVirialEnergyKernelbbbiPK20TileListVirialEnergyP12VirialEnergy
120 bytes stack frame, 16 bytes spill stores, 32 bytes spill loads
ptxas info : Used 48 registers, 624 bytes smem, 344 bytes cmem[0]
ptxas info : Compiling entry function '_Z20nonbondedForceKernelILb1ELb1ELb0ELb1ELb0EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z20nonbondedForceKernelILb1ELb1ELb0ELb1ELb0EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy
64 bytes stack frame, 44 bytes spill stores, 44 bytes spill loads
ptxas info : Used 48 registers, 584 bytes cmem[0], 8 bytes cmem[2]
ptxas info : Compiling entry function '_Z20nonbondedForceKernelILb1ELb0ELb0ELb0ELb0EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z20nonbondedForceKernelILb1ELb0ELb0ELb0ELb0EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 42 registers, 584 bytes cmem[0]
ptxas info : Compiling entry function '_Z20nonbondedForceKernelILb1ELb0ELb0ELb0ELb1EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z20nonbondedForceKernelILb1ELb0ELb0ELb0ELb1EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 46 registers, 584 bytes cmem[0]
ptxas info : Compiling entry function '_Z20nonbondedForceKernelILb1ELb0ELb0ELb1ELb0EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z20nonbondedForceKernelILb1ELb0ELb0ELb1ELb0EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy
40 bytes stack frame, 32 bytes spill stores, 32 bytes spill loads
ptxas info : Used 48 registers, 584 bytes cmem[0], 8 bytes cmem[2]
ptxas info : Compiling entry function '_Z20nonbondedForceKernelILb1ELb0ELb0ELb1ELb1EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z20nonbondedForceKernelILb1ELb0ELb0ELb1ELb1EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy
56 bytes stack frame, 48 bytes spill stores, 64 bytes spill loads
ptxas info : Used 48 registers, 584 bytes cmem[0], 8 bytes cmem[2]
ptxas info : Compiling entry function '_Z20nonbondedForceKernelILb0ELb0ELb0ELb1ELb0EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z20nonbondedForceKernelILb0ELb0ELb0ELb1ELb0EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy
16 bytes stack frame, 12 bytes spill stores, 12 bytes spill loads
ptxas info : Used 48 registers, 584 bytes cmem[0], 8 bytes cmem[2]
ptxas info : Compiling entry function '_Z20nonbondedForceKernelILb0ELb0ELb0ELb1ELb1EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z20nonbondedForceKernelILb0ELb0ELb0ELb1ELb1EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy
32 bytes stack frame, 28 bytes spill stores, 44 bytes spill loads
ptxas info : Used 48 registers, 584 bytes cmem[0], 8 bytes cmem[2]
ptxas info : Compiling entry function '_Z20nonbondedForceKernelILb0ELb0ELb0ELb0ELb0EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z20nonbondedForceKernelILb0ELb0ELb0ELb0ELb0EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 40 registers, 584 bytes cmem[0]
ptxas info : Compiling entry function '_Z20nonbondedForceKernelILb0ELb0ELb0ELb0ELb1EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z20nonbondedForceKernelILb0ELb0ELb0ELb0ELb1EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 41 registers, 584 bytes cmem[0]
ptxas info : Compiling entry function '_ZN3cub11EmptyKernelIvEEvv' for 'sm_35'
ptxas info : Function properties for _ZN3cub11EmptyKernelIvEEvv
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 2 registers, 320 bytes cmem[0]
ptxas info : Compiling entry function '_Z20nonbondedForceKernelILb0ELb0ELb1ELb0ELb0EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z20nonbondedForceKernelILb0ELb0ELb1ELb0ELb0EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 48 registers, 584 bytes cmem[0]
ptxas info : Compiling entry function '_Z20nonbondedForceKernelILb0ELb0ELb1ELb0ELb1EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z20nonbondedForceKernelILb0ELb0ELb1ELb0ELb1EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 48 registers, 584 bytes cmem[0]
ptxas info : Compiling entry function '_Z20nonbondedForceKernelILb0ELb0ELb1ELb1ELb0EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z20nonbondedForceKernelILb0ELb0ELb1ELb1ELb0EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy
48 bytes stack frame, 40 bytes spill stores, 40 bytes spill loads
ptxas info : Used 48 registers, 584 bytes cmem[0], 8 bytes cmem[2]
ptxas info : Compiling entry function '_Z20nonbondedForceKernelILb0ELb0ELb1ELb1ELb1EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z20nonbondedForceKernelILb0ELb0ELb1ELb1ELb1EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy
64 bytes stack frame, 56 bytes spill stores, 72 bytes spill loads
ptxas info : Used 48 registers, 584 bytes cmem[0], 8 bytes cmem[2]
ptxas info : Compiling entry function '_Z20nonbondedForceKernelILb1ELb0ELb1ELb0ELb0EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z20nonbondedForceKernelILb1ELb0ELb1ELb0ELb0EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy
8 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 48 registers, 584 bytes cmem[0]
ptxas info : Compiling entry function '_Z20nonbondedForceKernelILb1ELb0ELb1ELb0ELb1EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z20nonbondedForceKernelILb1ELb0ELb1ELb0ELb1EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy
8 bytes stack frame, 8 bytes spill stores, 8 bytes spill loads
ptxas info : Used 48 registers, 584 bytes cmem[0]
ptxas info : Compiling entry function '_Z20nonbondedForceKernelILb1ELb0ELb1ELb1ELb1EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z20nonbondedForceKernelILb1ELb0ELb1ELb1ELb1EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy
88 bytes stack frame, 96 bytes spill stores, 120 bytes spill loads
ptxas info : Used 48 registers, 584 bytes cmem[0], 8 bytes cmem[2]
ptxas info : Compiling entry function '_Z27reduceNonbondedVirialKernelbiPK6float4S1_S1_P12VirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z27reduceNonbondedVirialKernelbiPK6float4S1_S1_P12VirialEnergy
72 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 45 registers, 164 bytes smem, 360 bytes cmem[0]
ptxas info : Compiling entry function '_Z20nonbondedForceKernelILb1ELb0ELb1ELb1ELb0EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z20nonbondedForceKernelILb1ELb0ELb1ELb1ELb0EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy
72 bytes stack frame, 80 bytes spill stores, 88 bytes spill loads
ptxas info : Used 48 registers, 584 bytes cmem[0], 8 bytes cmem[2]
ptxas info : Compiling entry function '_Z20nonbondedForceKernelILb0ELb1ELb1ELb0ELb0EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z20nonbondedForceKernelILb0ELb1ELb1ELb0ELb0EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy
16 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 47 registers, 584 bytes cmem[0]
ptxas info : Compiling entry function '_Z20nonbondedForceKernelILb0ELb1ELb1ELb0ELb1EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z20nonbondedForceKernelILb0ELb1ELb1ELb0ELb1EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy
16 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 48 registers, 584 bytes cmem[0]
ptxas info : Compiling entry function '_Z20nonbondedForceKernelILb0ELb1ELb1ELb1ELb0EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z20nonbondedForceKernelILb0ELb1ELb1ELb1ELb0EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy
72 bytes stack frame, 52 bytes spill stores, 52 bytes spill loads
ptxas info : Used 48 registers, 584 bytes cmem[0], 8 bytes cmem[2]
ptxas info : Compiling entry function '_Z20nonbondedForceKernelILb0ELb1ELb1ELb1ELb1EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z20nonbondedForceKernelILb0ELb1ELb1ELb1ELb1EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy
88 bytes stack frame, 68 bytes spill stores, 84 bytes spill loads
ptxas info : Used 48 registers, 584 bytes cmem[0], 8 bytes cmem[2]
ptxas info : Compiling entry function '_Z20nonbondedForceKernelILb1ELb1ELb1ELb0ELb0EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z20nonbondedForceKernelILb1ELb1ELb1ELb0ELb0EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy
24 bytes stack frame, 4 bytes spill stores, 4 bytes spill loads
ptxas info : Used 47 registers, 584 bytes cmem[0]
ptxas info : Compiling entry function '_Z20nonbondedForceKernelILb1ELb1ELb1ELb0ELb1EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z20nonbondedForceKernelILb1ELb1ELb1ELb0ELb1EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy
32 bytes stack frame, 20 bytes spill stores, 28 bytes spill loads
ptxas info : Used 48 registers, 584 bytes cmem[0]
ptxas info : Compiling entry function '_Z20nonbondedForceKernelILb1ELb1ELb1ELb1ELb1EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z20nonbondedForceKernelILb1ELb1ELb1ELb1ELb1EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy
112 bytes stack frame, 108 bytes spill stores, 132 bytes spill loads
ptxas info : Used 48 registers, 584 bytes cmem[0], 8 bytes cmem[2]
ptxas info : Compiling entry function '_Z22reduceGBISEnergyKerneliPK20TileListVirialEnergyP12VirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z22reduceGBISEnergyKerneliPK20TileListVirialEnergyP12VirialEnergy
8 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 20 registers, 296 bytes smem, 344 bytes cmem[0]
ptxas info : Compiling entry function '_Z20nonbondedForceKernelILb1ELb1ELb1ELb1ELb0EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z20nonbondedForceKernelILb1ELb1ELb1ELb1ELb0EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy
96 bytes stack frame, 92 bytes spill stores, 100 bytes spill loads
ptxas info : Used 48 registers, 584 bytes cmem[0], 8 bytes cmem[2]
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/main.o -c src/main.C
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/mainfunc.o -c src/mainfunc.C
ptxas info : 0 bytes gmem
ptxas info : Compiling entry function '_Z18gather_force_orthoIf6float3Li6ELb1ELb0EEvPK6float4iiiiiiiiiifffPKfyiPT0_' for 'sm_35'
ptxas info : Function properties for _Z18gather_force_orthoIf6float3Li6ELb1ELb0EEvPK6float4iiiiiiiiiifffPKfyiPT0_
72 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 46 registers, 5504 bytes smem, 416 bytes cmem[0]
ptxas info : Compiling entry function '_Z26spread_charge_ortho_kernelIfLi6ELb1ELb0EEvPK6float4ifffiiiiiiiiiPT_' for 'sm_35'
ptxas info : Function properties for _Z26spread_charge_ortho_kernelIfLi6ELb1ELb0EEvPK6float4ifffiiiiiiiiiPT_
24 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 30 registers, 2688 bytes smem, 392 bytes cmem[0], 8 bytes cmem[2]
ptxas info : Compiling entry function '_Z29batchTranspose_xyz_yzx_kernelI6float2EvPK14TransposeBatchIT_Eiiii' for 'sm_35'
ptxas info : Function properties for _Z29batchTranspose_xyz_yzx_kernelI6float2EvPK14TransposeBatchIT_Eiiii
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 22 registers, 8448 bytes smem, 344 bytes cmem[0]
ptxas info : Compiling entry function '_Z23scalar_sum_ortho_kernelIf6float2Lb1ELb0EEviiiiiiiiiT_S1_S1_PKS1_S3_S3_S1_S1_iiPT0_PdS6_' for 'sm_35'
ptxas info : Function properties for _Z23scalar_sum_ortho_kernelIf6float2Lb1ELb0EEviiiiiiiiiT_S1_S1_PKS1_S3_S3_S1_S1_iiPT0_PdS6_
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 46 registers, 432 bytes cmem[0], 28 bytes cmem[2]
ptxas info : Compiling entry function '_Z18gather_force_orthoIf6float3Li4ELb1ELb0EEvPK6float4iiiiiiiiiifffPKfyiPT0_' for 'sm_35'
ptxas info : Function properties for _Z18gather_force_orthoIf6float3Li4ELb1ELb0EEvPK6float4iiiiiiiiiifffPKfyiPT0_
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 37 registers, 3968 bytes smem, 416 bytes cmem[0]
ptxas info : Compiling entry function '_Z26spread_charge_ortho_kernelIfLi4ELb1ELb0EEvPK6float4ifffiiiiiiiiiPT_' for 'sm_35'
ptxas info : Function properties for _Z26spread_charge_ortho_kernelIfLi4ELb1ELb0EEvPK6float4ifffiiiiiiiiiPT_
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 37 registers, 1920 bytes smem, 392 bytes cmem[0]
ptxas info : Compiling entry function '_Z18gather_force_orthoIf6float3Li8ELb1ELb0EEvPK6float4iiiiiiiiiifffPKfyiPT0_' for 'sm_35'
ptxas info : Function properties for _Z18gather_force_orthoIf6float3Li8ELb1ELb0EEvPK6float4iiiiiiiiiifffPKfyiPT0_
96 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 47 registers, 7040 bytes smem, 416 bytes cmem[0]
ptxas info : Compiling entry function '_Z26spread_charge_ortho_kernelIfLi8ELb1ELb0EEvPK6float4ifffiiiiiiiiiPT_' for 'sm_35'
ptxas info : Function properties for _Z26spread_charge_ortho_kernelIfLi8ELb1ELb0EEvPK6float4ifffiiiiiiiiiPT_
32 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 31 registers, 3456 bytes smem, 392 bytes cmem[0]
ptxas info : Compiling entry function '_Z18gather_force_orthoIf6float3Li6ELb0ELb0EEvPK6float4iiiiiiiiiifffPKfyiPT0_' for 'sm_35'
ptxas info : Function properties for _Z18gather_force_orthoIf6float3Li6ELb0ELb0EEvPK6float4iiiiiiiiiifffPKfyiPT0_
72 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 40 registers, 5504 bytes smem, 416 bytes cmem[0]
ptxas info : Compiling entry function '_Z26spread_charge_ortho_kernelIfLi6ELb0ELb0EEvPK6float4ifffiiiiiiiiiPT_' for 'sm_35'
ptxas info : Function properties for _Z26spread_charge_ortho_kernelIfLi6ELb0ELb0EEvPK6float4ifffiiiiiiiiiPT_
24 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 30 registers, 2688 bytes smem, 392 bytes cmem[0], 8 bytes cmem[2]
ptxas info : Compiling entry function '_Z29batchTranspose_xyz_zxy_kernelI6float2EvPK14TransposeBatchIT_Eiiii' for 'sm_35'
ptxas info : Function properties for _Z29batchTranspose_xyz_zxy_kernelI6float2EvPK14TransposeBatchIT_Eiiii
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 20 registers, 8448 bytes smem, 344 bytes cmem[0]
ptxas info : Compiling entry function '_Z23scalar_sum_ortho_kernelIf6float2Lb0ELb0EEviiiiiiiiiT_S1_S1_PKS1_S3_S3_S1_S1_iiPT0_PdS6_' for 'sm_35'
ptxas info : Function properties for _Z23scalar_sum_ortho_kernelIf6float2Lb0ELb0EEviiiiiiiiiT_S1_S1_PKS1_S3_S3_S1_S1_iiPT0_PdS6_
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 25 registers, 432 bytes cmem[0], 28 bytes cmem[2]
ptxas info : Compiling entry function '_Z18gather_force_orthoIf6float3Li4ELb0ELb0EEvPK6float4iiiiiiiiiifffPKfyiPT0_' for 'sm_35'
ptxas info : Function properties for _Z18gather_force_orthoIf6float3Li4ELb0ELb0EEvPK6float4iiiiiiiiiifffPKfyiPT0_
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 33 registers, 3968 bytes smem, 416 bytes cmem[0]
ptxas info : Compiling entry function '_Z26spread_charge_ortho_kernelIfLi4ELb0ELb0EEvPK6float4ifffiiiiiiiiiPT_' for 'sm_35'
ptxas info : Function properties for _Z26spread_charge_ortho_kernelIfLi4ELb0ELb0EEvPK6float4ifffiiiiiiiiiPT_
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 38 registers, 1920 bytes smem, 392 bytes cmem[0]
ptxas info : Compiling entry function '_Z18gather_force_orthoIf6float3Li8ELb0ELb0EEvPK6float4iiiiiiiiiifffPKfyiPT0_' for 'sm_35'
ptxas info : Function properties for _Z18gather_force_orthoIf6float3Li8ELb0ELb0EEvPK6float4iiiiiiiiiifffPKfyiPT0_
96 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 45 registers, 7040 bytes smem, 416 bytes cmem[0]
ptxas info : Compiling entry function '_Z26spread_charge_ortho_kernelIfLi8ELb0ELb0EEvPK6float4ifffiiiiiiiiiPT_' for 'sm_35'
ptxas info : Function properties for _Z26spread_charge_ortho_kernelIfLi8ELb0ELb0EEvPK6float4ifffiiiiiiiiiPT_
32 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 31 registers, 3456 bytes smem, 392 bytes cmem[0]
ptxas info : Compiling entry function '_Z18gather_force_orthoIf6float3Li6ELb1ELb1EEvPK6float4iiiiiiiiiifffPKfyiPT0_' for 'sm_35'
ptxas info : Function properties for _Z18gather_force_orthoIf6float3Li6ELb1ELb1EEvPK6float4iiiiiiiiiifffPKfyiPT0_
136 bytes stack frame, 64 bytes spill stores, 68 bytes spill loads
ptxas info : Used 48 registers, 5504 bytes smem, 416 bytes cmem[0]
ptxas info : Compiling entry function '_Z26spread_charge_ortho_kernelIfLi6ELb1ELb1EEvPK6float4ifffiiiiiiiiiPT_' for 'sm_35'
ptxas info : Function properties for _Z26spread_charge_ortho_kernelIfLi6ELb1ELb1EEvPK6float4ifffiiiiiiiiiPT_
24 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 30 registers, 2688 bytes smem, 392 bytes cmem[0], 8 bytes cmem[2]
ptxas info : Compiling entry function '_Z24transpose_xyz_yzx_kernelI6float2EviiiiiiiPKT_PS1_' for 'sm_35'
ptxas info : Function properties for _Z24transpose_xyz_yzx_kernelI6float2EviiiiiiiPKT_PS1_
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 20 registers, 8448 bytes smem, 368 bytes cmem[0]
ptxas info : Compiling entry function '_Z23scalar_sum_ortho_kernelIf6float2Lb1ELb1EEviiiiiiiiiT_S1_S1_PKS1_S3_S3_S1_S1_iiPT0_PdS6_' for 'sm_35'
ptxas info : Function properties for _Z23scalar_sum_ortho_kernelIf6float2Lb1ELb1EEviiiiiiiiiT_S1_S1_PKS1_S3_S3_S1_S1_iiPT0_PdS6_
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 46 registers, 432 bytes cmem[0], 28 bytes cmem[2]
ptxas info : Compiling entry function '_Z18gather_force_orthoIf6float3Li4ELb1ELb1EEvPK6float4iiiiiiiiiifffPKfyiPT0_' for 'sm_35'
ptxas info : Function properties for _Z18gather_force_orthoIf6float3Li4ELb1ELb1EEvPK6float4iiiiiiiiiifffPKfyiPT0_
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 48 registers, 3968 bytes smem, 416 bytes cmem[0]
ptxas info : Compiling entry function '_Z26spread_charge_ortho_kernelIfLi4ELb1ELb1EEvPK6float4ifffiiiiiiiiiPT_' for 'sm_35'
ptxas info : Function properties for _Z26spread_charge_ortho_kernelIfLi4ELb1ELb1EEvPK6float4ifffiiiiiiiiiPT_
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 35 registers, 1920 bytes smem, 392 bytes cmem[0]
ptxas info : Compiling entry function '_Z18gather_force_orthoIf6float3Li8ELb1ELb1EEvPK6float4iiiiiiiiiifffPKfyiPT0_' for 'sm_35'
ptxas info : Function properties for _Z18gather_force_orthoIf6float3Li8ELb1ELb1EEvPK6float4iiiiiiiiiifffPKfyiPT0_
368 bytes stack frame, 276 bytes spill stores, 392 bytes spill loads
ptxas info : Used 48 registers, 7040 bytes smem, 416 bytes cmem[0]
ptxas info : Compiling entry function '_Z26spread_charge_ortho_kernelIfLi8ELb1ELb1EEvPK6float4ifffiiiiiiiiiPT_' for 'sm_35'
ptxas info : Function properties for _Z26spread_charge_ortho_kernelIfLi8ELb1ELb1EEvPK6float4ifffiiiiiiiiiPT_
32 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 31 registers, 3456 bytes smem, 392 bytes cmem[0]
ptxas info : Compiling entry function '_Z18gather_force_orthoIf6float3Li6ELb0ELb1EEvPK6float4iiiiiiiiiifffPKfyiPT0_' for 'sm_35'
ptxas info : Function properties for _Z18gather_force_orthoIf6float3Li6ELb0ELb1EEvPK6float4iiiiiiiiiifffPKfyiPT0_
72 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 44 registers, 5504 bytes smem, 416 bytes cmem[0]
ptxas info : Compiling entry function '_Z26spread_charge_ortho_kernelIfLi6ELb0ELb1EEvPK6float4ifffiiiiiiiiiPT_' for 'sm_35'
ptxas info : Function properties for _Z26spread_charge_ortho_kernelIfLi6ELb0ELb1EEvPK6float4ifffiiiiiiiiiPT_
24 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 30 registers, 2688 bytes smem, 392 bytes cmem[0], 8 bytes cmem[2]
ptxas info : Compiling entry function '_Z24transpose_xyz_zxy_kernelI6float2EviiiiiiiPKT_PS1_' for 'sm_35'
ptxas info : Function properties for _Z24transpose_xyz_zxy_kernelI6float2EviiiiiiiPKT_PS1_
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 21 registers, 8448 bytes smem, 368 bytes cmem[0]
ptxas info : Compiling entry function '_Z23scalar_sum_ortho_kernelIf6float2Lb0ELb1EEviiiiiiiiiT_S1_S1_PKS1_S3_S3_S1_S1_iiPT0_PdS6_' for 'sm_35'
ptxas info : Function properties for _Z23scalar_sum_ortho_kernelIf6float2Lb0ELb1EEviiiiiiiiiT_S1_S1_PKS1_S3_S3_S1_S1_iiPT0_PdS6_
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 25 registers, 432 bytes cmem[0], 28 bytes cmem[2]
ptxas info : Compiling entry function '_Z18gather_force_orthoIf6float3Li4ELb0ELb1EEvPK6float4iiiiiiiiiifffPKfyiPT0_' for 'sm_35'
ptxas info : Function properties for _Z18gather_force_orthoIf6float3Li4ELb0ELb1EEvPK6float4iiiiiiiiiifffPKfyiPT0_
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 38 registers, 3968 bytes smem, 416 bytes cmem[0]
ptxas info : Compiling entry function '_Z26spread_charge_ortho_kernelIfLi4ELb0ELb1EEvPK6float4ifffiiiiiiiiiPT_' for 'sm_35'
ptxas info : Function properties for _Z26spread_charge_ortho_kernelIfLi4ELb0ELb1EEvPK6float4ifffiiiiiiiiiPT_
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 37 registers, 1920 bytes smem, 392 bytes cmem[0]
ptxas info : Compiling entry function '_Z18gather_force_orthoIf6float3Li8ELb0ELb1EEvPK6float4iiiiiiiiiifffPKfyiPT0_' for 'sm_35'
ptxas info : Function properties for _Z18gather_force_orthoIf6float3Li8ELb0ELb1EEvPK6float4iiiiiiiiiifffPKfyiPT0_
96 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 46 registers, 7040 bytes smem, 416 bytes cmem[0]
ptxas info : Compiling entry function '_Z26spread_charge_ortho_kernelIfLi8ELb0ELb1EEvPK6float4ifffiiiiiiiiiPT_' for 'sm_35'
ptxas info : Function properties for _Z26spread_charge_ortho_kernelIfLi8ELb0ELb1EEvPK6float4ifffiiiiiiiiiPT_
32 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 31 registers, 3456 bytes smem, 392 bytes cmem[0]
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/BackEnd.o -c src/BackEnd.C
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/Node.o -c src/Node.C
ptxas info : Overriding global maxrregcount 48 with entry-specific value 64 computed using thread count
ptxas info : Overriding global maxrregcount 48 with entry-specific value 255 computed using thread count
ptxas info : Overriding global maxrregcount 48 with entry-specific value 128 computed using thread count
ptxas info : Overriding global maxrregcount 48 with entry-specific value 255 computed using thread count
ptxas info : Overriding global maxrregcount 48 with entry-specific value 128 computed using thread count
cc -Isb/src -Iplugins/include -DSTATIC_PLUGIN -DPSFGEN_USEPLUGINS -I.rootdir/tcl/include -DNAMD_TCL -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -o psfgen obj/tcl_main.o obj/tcl_psfgen.o obj/charmm_file.o obj/charmm_parse_topo_defs.o obj/extract_alias.o obj/hash.o obj/hasharray.o obj/memarena.o obj/pdb_file.o obj/pdb_file_extract.o obj/psf_file.o obj/psf_file_extract.o obj/topo_defs.o obj/topo_mol.o obj/topo_mol_output.o obj/topo_mol_pluginio.o obj/stringhash.o obj/dcdplugin.o obj/jsplugin.o obj/namdbinplugin.o obj/pdbplugin.o obj/psfplugin.o -L.rootdir/tcl/lib -ltcl8.5 -ldl -lm
cc -Isb/src -Iplugins/include -DSTATIC_PLUGIN -DPSFGEN_USEPLUGINS -I.rootdir/tcl/include -DNAMD_TCL -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -o sortreplicas obj/sortreplicas.o obj/dcdplugin.o obj/jsplugin.o obj/namdbinplugin.o obj/pdbplugin.o obj/psfplugin.o -lm
ptxas info : 1 bytes gmem
ptxas info : Compiling entry function '_ZN3cub21DeviceScanSweepKernelINS_12DispatchScanIPiS2_NS_3SumEiiE18PtxAgentScanPolicyES2_S2_NS_13ScanTileStateIiLb1EEES3_iiEEvT0_T1_T2_T3_T4_T5_' for 'sm_35'
ptxas info : Function properties for _ZN3cub21DeviceScanSweepKernelINS_12DispatchScanIPiS2_NS_3SumEiiE18PtxAgentScanPolicyES2_S2_NS_13ScanTileStateIiLb1EEES3_iiEEvT0_T1_T2_T3_T4_T5_
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 31 registers, 1536 bytes smem, 356 bytes cmem[0], 4 bytes cmem[2]
ptxas info : Compiling entry function '_Z21bitshiftTileListDepthiiPKiPKjPj' for 'sm_35'
ptxas info : Function properties for _Z21bitshiftTileListDepthiiPKiPKjPj
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 10 registers, 352 bytes cmem[0]
ptxas info : Compiling entry function '_ZN3cub28DeviceRadixSortUpsweepKernelINS_21DeviceRadixSortPolicyIjiiE9Policy520ELb0ELb1EjiEEvPT2_PT3_S6_iiNS_13GridEvenShareIS6_EE' for 'sm_35'
ptxas info : Function properties for _ZN3cub28DeviceRadixSortUpsweepKernelINS_21DeviceRadixSortPolicyIjiiE9Policy520ELb0ELb1EjiEEvPT2_PT3_S6_iiNS_13GridEvenShareIS6_EE
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 45 registers, 4224 bytes smem, 384 bytes cmem[0], 4 bytes cmem[2]
ptxas info : Compiling entry function '_Z21bitshiftTileListDepthiiPj' for 'sm_35'
ptxas info : Function properties for _Z21bitshiftTileListDepthiiPj
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 8 registers, 336 bytes cmem[0]
ptxas info : Compiling entry function '_Z9localSortILi32EEviiiPjPi' for 'sm_35'
ptxas info : Function properties for _Z9localSortILi32EEviiiPjPi
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 30 registers, 1168 bytes smem, 352 bytes cmem[0]
ptxas info : Compiling entry function '_Z33setPatchNumLists_findEmptyPatchesiP8TileListPKiiPiS3_' for 'sm_35'
ptxas info : Function properties for _Z33setPatchNumLists_findEmptyPatchesiP8TileListPKiiPiS3_
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 16 registers, 368 bytes cmem[0]
ptxas info : Compiling entry function '_ZN3cub23RadixSortScanBinsKernelINS_21DeviceRadixSortPolicyIjiiE9Policy520EiEEvPT0_i' for 'sm_35'
ptxas info : Function properties for _ZN3cub23RadixSortScanBinsKernelINS_21DeviceRadixSortPolicyIjiiE9Policy520EiEEvPT0_i
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 24 registers, 176 bytes smem, 332 bytes cmem[0]
ptxas info : Compiling entry function '_Z24buildBoundingBoxesKerneliPK6float4P11BoundingBox' for 'sm_35'
ptxas info : Function properties for _Z24buildBoundingBoxesKerneliPK6float4P11BoundingBox
24 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 25 registers, 344 bytes cmem[0]
ptxas info : Compiling entry function '_ZN3cub28DeviceRadixSortUpsweepKernelINS_21DeviceRadixSortPolicyIjiiE9Policy520ELb0ELb0EjiEEvPT2_PT3_S6_iiNS_13GridEvenShareIS6_EE' for 'sm_35'
ptxas info : Function properties for _ZN3cub28DeviceRadixSortUpsweepKernelINS_21DeviceRadixSortPolicyIjiiE9Policy520ELb0ELb0EjiEEvPT2_PT3_S6_iiNS_13GridEvenShareIS6_EE
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 45 registers, 4224 bytes smem, 384 bytes cmem[0], 4 bytes cmem[2]
ptxas info : Compiling entry function '_Z13buildSortKeysiiPK8TileListPKiPKjP4int2Pj' for 'sm_35'
ptxas info : Function properties for _Z13buildSortKeysiiPK8TileListPKiPKjP4int2Pj
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 13 registers, 368 bytes cmem[0]
ptxas info : Compiling entry function '_ZN3cub30DeviceRadixSortDownsweepKernelINS_21DeviceRadixSortPolicyIjiiE9Policy520ELb0ELb1EjiiEEvPT2_S5_PT3_S7_PT4_S8_iiNS_13GridEvenShareIS8_EE' for 'sm_35'
ptxas info : Function properties for _ZN3cub30DeviceRadixSortDownsweepKernelINS_21DeviceRadixSortPolicyIjiiE9Policy520ELb0ELb1EjiiEEvPT2_S5_PT3_S7_PT4_S8_iiNS_13GridEvenShareIS8_EE
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 93 registers, 8864 bytes smem, 408 bytes cmem[0]
ptxas info : Compiling entry function '_Z19updatePatchesKernelILi32EEviPKiPK17CudaComputeRecordPK15CudaPatchRecordP8TileList' for 'sm_35'
ptxas info : Function properties for _Z19updatePatchesKernelILi32EEviPKiPK17CudaComputeRecordPK15CudaPatchRecordP8TileList
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 18 registers, 360 bytes cmem[0], 4 bytes cmem[2]
ptxas info : Compiling entry function '_ZN3cub11EmptyKernelIvEEvv' for 'sm_35'
ptxas info : Function properties for _ZN3cub11EmptyKernelIvEEvv
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 2 registers, 320 bytes cmem[0]
ptxas info : Compiling entry function '_Z12setupSortKeyiiPK8TileListPKjiS3_Pj' for 'sm_35'
ptxas info : Function properties for _Z12setupSortKeyiiPK8TileListPKjiS3_Pj
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 15 registers, 368 bytes cmem[0]
ptxas info : Compiling entry function '_ZN3cub30DeviceRadixSortDownsweepKernelINS_21DeviceRadixSortPolicyIjiiE9Policy520ELb1ELb0EjiiEEvPT2_S5_PT3_S7_PT4_S8_iiNS_13GridEvenShareIS8_EE' for 'sm_35'
ptxas info : Function properties for _ZN3cub30DeviceRadixSortDownsweepKernelINS_21DeviceRadixSortPolicyIjiiE9Policy520ELb1ELb0EjiiEEvPT2_S5_PT3_S7_PT4_S8_iiNS_13GridEvenShareIS8_EE
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 84 registers, 7760 bytes smem, 408 bytes cmem[0]
ptxas info : Compiling entry function '_Z21repackTileListsKerneliiPKiS0_S0_PK8TileListPS1_PK15PatchPairRecordPS5_S0_PiPK8TileExclPSA_' for 'sm_35'
ptxas info : Function properties for _Z21repackTileListsKerneliiPKiS0_S0_PK8TileListPS1_PK15PatchPairRecordPS5_S0_PiPK8TileExclPSA_
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 31 registers, 416 bytes cmem[0]
ptxas info : Compiling entry function '_ZN3cub31DeviceRadixSortSingleTileKernelINS_21DeviceRadixSortPolicyIjiiE9Policy520ELb0EjiiEEvPT1_S5_PT2_S7_T3_ii' for 'sm_35'
ptxas info : Function properties for _ZN3cub31DeviceRadixSortSingleTileKernelINS_21DeviceRadixSortPolicyIjiiE9Policy520ELb0EjiiEEvPT1_S5_PT2_S7_T3_ii
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 92 registers, 8736 bytes smem, 364 bytes cmem[0]
ptxas info : Compiling entry function '_Z17initMinMaxListLeniiP4int2' for 'sm_35'
ptxas info : Function properties for _Z17initMinMaxListLeniiP4int2
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 10 registers, 336 bytes cmem[0]
ptxas info : Compiling entry function '_ZN3cub28DeviceRadixSortUpsweepKernelINS_21DeviceRadixSortPolicyIjiiE9Policy520ELb1ELb1EjiEEvPT2_PT3_S6_iiNS_13GridEvenShareIS6_EE' for 'sm_35'
ptxas info : Function properties for _ZN3cub28DeviceRadixSortUpsweepKernelINS_21DeviceRadixSortPolicyIjiiE9Policy520ELb1ELb1EjiEEvPT2_PT3_S6_iiNS_13GridEvenShareIS6_EE
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 42 registers, 2112 bytes smem, 384 bytes cmem[0]
ptxas info : Compiling entry function '_Z21calcTileListPosKernelILi1024EEviPK17CudaComputeRecordPK15CudaPatchRecordPi' for 'sm_35'
ptxas info : Function properties for _Z21calcTileListPosKernelILi1024EEviPK17CudaComputeRecordPK15CudaPatchRecordPi
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 40 registers, 4240 bytes smem, 352 bytes cmem[0], 4 bytes cmem[2]
ptxas info : Compiling entry function '_Z19sortTileListsKernelIjiLb0EEviiiiT_PS0_S1_PT0_S3_' for 'sm_35'
ptxas info : Function properties for _Z19sortTileListsKernelIjiLb0EEviiiiT_PS0_S1_PT0_S3_
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 118 registers, 45056 bytes smem, 376 bytes cmem[0]
ptxas info : Compiling entry function '_Z23buildRemoveZerosSortKeyiPKjiPj' for 'sm_35'
ptxas info : Function properties for _Z23buildRemoveZerosSortKeyiPKjiPj
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 10 registers, 352 bytes cmem[0]
ptxas info : Compiling entry function '_ZN3cub30DeviceRadixSortDownsweepKernelINS_21DeviceRadixSortPolicyIjiiE9Policy520ELb0ELb0EjiiEEvPT2_S5_PT3_S7_PT4_S8_iiNS_13GridEvenShareIS8_EE' for 'sm_35'
ptxas info : Function properties for _ZN3cub30DeviceRadixSortDownsweepKernelINS_21DeviceRadixSortPolicyIjiiE9Policy520ELb0ELb0EjiiEEvPT2_S5_PT3_S7_PT4_S8_iiNS_13GridEvenShareIS8_EE
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 93 registers, 8864 bytes smem, 408 bytes cmem[0]
ptxas info : Compiling entry function '_Z22buildTileListsBBKerneliP8TileListPK15CudaPatchRecordPKiffffiPK11BoundingBoxPiiPjS9_P15PatchPairRecordP12TileListStat' for 'sm_35'
ptxas info : Function properties for _Z22buildTileListsBBKerneliP8TileListPK15CudaPatchRecordPKiffffiPK11BoundingBoxPiiPjS9_P15PatchPairRecordP12TileListStat
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 46 registers, 432 bytes cmem[0], 4 bytes cmem[2]
ptxas info : Compiling entry function '_ZN3cub20DeviceScanInitKernelINS_13ScanTileStateIiLb1EEEEEvT_i' for 'sm_35'
ptxas info : Function properties for _ZN3cub20DeviceScanInitKernelINS_13ScanTileStateIiLb1EEEEEvT_i
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 7 registers, 332 bytes cmem[0]
ptxas info : Compiling entry function '_Z14storeInReverseiiPKiS0_S0_PKjPiPj' for 'sm_35'
ptxas info : Function properties for _Z14storeInReverseiiPKiS0_S0_PKjPiPj
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 13 registers, 376 bytes cmem[0]
ptxas info : Compiling entry function '_ZN3cub31DeviceRadixSortSingleTileKernelINS_21DeviceRadixSortPolicyIjiiE9Policy520ELb1EjiiEEvPT1_S5_PT2_S7_T3_ii' for 'sm_35'
ptxas info : Function properties for _ZN3cub31DeviceRadixSortSingleTileKernelINS_21DeviceRadixSortPolicyIjiiE9Policy520ELb1EjiiEEvPT1_S5_PT2_S7_T3_ii
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 92 registers, 8736 bytes smem, 364 bytes cmem[0]
ptxas info : Compiling entry function '_Z20reOrderTileListDepthiPKiPjS1_' for 'sm_35'
ptxas info : Function properties for _Z20reOrderTileListDepthiPKiPjS1_
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 7 registers, 352 bytes cmem[0]
ptxas info : Compiling entry function '_ZN3cub28DeviceRadixSortUpsweepKernelINS_21DeviceRadixSortPolicyIjiiE9Policy520ELb1ELb0EjiEEvPT2_PT3_S6_iiNS_13GridEvenShareIS6_EE' for 'sm_35'
ptxas info : Function properties for _ZN3cub28DeviceRadixSortUpsweepKernelINS_21DeviceRadixSortPolicyIjiiE9Policy520ELb1ELb0EjiEEvPT2_PT3_S6_iiNS_13GridEvenShareIS6_EE
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 42 registers, 2112 bytes smem, 384 bytes cmem[0]
ptxas info : Compiling entry function '_Z12fillSortKeysiiPK4int2Pj' for 'sm_35'
ptxas info : Function properties for _Z12fillSortKeysiiPK4int2Pj
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 14 registers, 344 bytes cmem[0]
ptxas info : Compiling entry function '_Z19sortTileListsKernelIjiLb1EEviiiiT_PS0_S1_PT0_S3_' for 'sm_35'
ptxas info : Function properties for _Z19sortTileListsKernelIjiLb1EEviiiiT_PS0_S1_PT0_S3_
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 118 registers, 45056 bytes smem, 376 bytes cmem[0]
ptxas info : Compiling entry function '_Z17calcPatchNumListsiiPK8TileListPi' for 'sm_35'
ptxas info : Function properties for _Z17calcPatchNumListsiiPK8TileListPi
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 11 registers, 344 bytes cmem[0]
ptxas info : Compiling entry function '_ZN3cub30DeviceRadixSortDownsweepKernelINS_21DeviceRadixSortPolicyIjiiE9Policy520ELb1ELb1EjiiEEvPT2_S5_PT3_S7_PT4_S8_iiNS_13GridEvenShareIS8_EE' for 'sm_35'
ptxas info : Function properties for _ZN3cub30DeviceRadixSortDownsweepKernelINS_21DeviceRadixSortPolicyIjiiE9Policy520ELb1ELb1EjiiEEvPT2_S5_PT3_S7_PT4_S8_iiNS_13GridEvenShareIS8_EE
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 84 registers, 7760 bytes smem, 408 bytes cmem[0]
rm -f obj/buildinfo.C; echo 'const char *namd_build_date = ' \"`date`\"\; > obj/buildinfo.C; echo 'const char *namd_build_user = ' \"bwjenkins\"\; >> obj/buildinfo.C; echo 'const char *namd_build_machine = ' \"`hostname`\"\; >> obj/buildinfo.C; cat obj/buildinfo.C; CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/buildinfo.o -c obj/buildinfo.C
const char *namd_build_date = "Fri Mar 9 16:49:04 CST 2018";
const char *namd_build_user = "bwjenkins";
const char *namd_build_machine = "h2ologin2";
.rootdir/charm-6.7.1/gni-crayxe-smp/bin/charmc -verbose -ld++-option \
'-I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Iinc -Isrc -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer' \
-module NeighborLB -module HybridLB -module RefineLB -module GreedyLB -module CkMulticast -module CkLoop -language charm++ \
obj/buildinfo.o \
obj/ComputeMoa.o obj/ComputeMsm.o obj/ComputeMsmMsa.o obj/ComputeMsmSerial.o obj/ComputeFmmSerial.o obj/msm.o obj/msm_longrng.o obj/msm_longrng_sprec.o obj/msm_setup.o obj/msm_shortrng.o obj/msm_shortrng_sprec.o obj/wkfutils.o obj/common.o obj/dcdlib.o obj/eabf1D.o obj/eabf2D.o obj/eabffunc.o obj/eabfTcl.o obj/erf.o obj/fitrms.o obj/main.o obj/mainfunc.o obj/memusage.o obj/strlib.o obj/AlgSeven.o obj/AlgRecBisection.o obj/AlgNbor.o obj/AtomMap.o obj/BackEnd.o obj/BroadcastMgr.o obj/BroadcastClient.o obj/CollectionMaster.o obj/CollectionMgr.o obj/Communicate.o obj/Compute.o obj/ComputeAngles.o obj/ComputeAniso.o obj/ComputeBonds.o obj/ComputeConsForce.o obj/ComputeConsForceMsgs.o obj/ComputeCrossterms.o obj/ComputeCUDAMgr.o obj/ComputeCylindricalBC.o obj/ComputeDihedrals.o obj/ComputeDPME.o obj/ComputeDPMEMsgs.o obj/ComputeDPMTA.o obj/ComputeEField.o obj/ComputeEwald.o obj/ComputeExt.o obj/ComputeQM.o obj/ComputeGBISser.o obj/ComputeGBIS.o obj/ComputeGromacsPair.o obj/ComputeLCPO.o obj/ComputeFullDirect.o obj/ComputeHomePatch.o obj/ComputeHomePatches.o obj/ComputeImpropers.o obj/ComputeGlobal.o obj/ComputeGlobalMsgs.o obj/ComputeGridForce.o obj/ComputeMap.o obj/ComputeMgr.o obj/ComputeNonbondedSelf.o obj/ComputeNonbondedPair.o obj/ComputeNonbondedUtil.o obj/ComputeNonbondedStd.o obj/ComputeNonbondedFEP.o obj/ComputeNonbondedGo.o obj/ComputeNonbondedTI.o obj/ComputeNonbondedLES.o obj/ComputeNonbondedPProf.o obj/ComputeNonbondedTabEnergies.o obj/ComputeNonbondedCUDA.o obj/ComputeNonbondedCUDAExcl.o obj/ComputeNonbondedMIC.o obj/ComputeNonbondedMICKernel.o obj/ComputePatch.o obj/ComputePatchPair.o obj/ComputePme.o obj/ComputePmeCUDA.o obj/ComputePmeCUDAMgr.o obj/OptPme.o obj/OptPmeRealSpace.o obj/ComputeRestraints.o obj/ComputeSphericalBC.o obj/ComputeStir.o obj/ComputeTclBC.o obj/ComputeThole.o obj/ConfigList.o obj/Controller.o obj/CudaComputeNonbonded.o obj/CudaPmeSolver.o obj/CudaPmeSolverUtil.o obj/CudaUtils.o obj/ccsinterface.o obj/DataStream.o obj/DeviceCUDA.o obj/DumpBench.o obj/FreeEnergyAssert.o obj/FreeEnergyGroup.o obj/FreeEnergyLambda.o obj/FreeEnergyLambdMgr.o obj/FreeEnergyParse.o obj/FreeEnergyRestrain.o obj/FreeEnergyRMgr.o obj/FreeEnergyVector.o obj/fstream_namd.o obj/GlobalMaster.o obj/GlobalMasterServer.o obj/GlobalMasterTest.o obj/GlobalMasterIMD.o obj/GlobalMasterTcl.o obj/GlobalMasterSMD.o obj/GlobalMasterTMD.o obj/Matrix4Symmetry.o obj/GlobalMasterSymmetry.o obj/GlobalMasterFreeEnergy.o obj/GlobalMasterEasy.o obj/GlobalMasterMisc.o obj/colvar.o obj/colvaratoms.o obj/colvarbias.o obj/colvarbias_abf.o obj/colvarbias_alb.o obj/colvarbias_histogram.o obj/colvarbias_meta.o obj/colvarbias_restraint.o obj/colvarcomp.o obj/colvarcomp_angles.o obj/colvarcomp_coordnums.o obj/colvarcomp_distances.o obj/colvarcomp_protein.o obj/colvarcomp_rotations.o obj/colvardeps.o obj/colvargrid.o obj/colvarmodule.o obj/colvarparse.o obj/colvarproxy_namd.o obj/colvarscript.o obj/colvartypes.o obj/colvarvalue.o obj/GridForceGrid.o obj/GromacsTopFile.o obj/heap.o obj/HomePatch.o obj/IMDOutput.o obj/InfoStream.o obj/LdbCoordinator.o obj/LJTable.o obj/Measure.o obj/MGridforceParams.o obj/MStream.o obj/MigrateAtomsMsg.o obj/Molecule.o obj/Molecule2.o obj/GoMolecule.o obj/MoleculeQM.o obj/NamdCentLB.o obj/NamdNborLB.o obj/NamdHybridLB.o obj/NamdDummyLB.o obj/NamdState.o obj/NamdOneTools.o obj/Node.o obj/Output.o obj/Parameters.o obj/ParseOptions.o obj/Patch.o obj/PatchMgr.o obj/PatchMap.o obj/PDB.o obj/PDBData.o obj/PmeKSpace.o obj/PmeRealSpace.o obj/PmeSolver.o obj/ProcessorPrivate.o obj/ProxyMgr.o obj/ProxyPatch.o obj/Rebalancer.o obj/RecBisection.o obj/ReductionMgr.o obj/RefineOnly.o obj/RefineTorusLB.o obj/ScriptTcl.o obj/Sequencer.o obj/Set.o obj/Settle.o obj/SimParameters.o obj/SortAtoms.o obj/Sync.o obj/TclCommands.o obj/TorusLB.o obj/WorkDistrib.o obj/pub3dfft.o obj/vmdsock.o obj/parm.o obj/imd.o obj/CompressPsf.o obj/PluginIOMgr.o obj/DataExchanger.o obj/ParallelIOMgr.o \
obj/ComputeNonbondedCUDAKernel.o obj/ComputePmeCUDAKernel.o obj/CudaComputeGBISKernel.o obj/CudaComputeNonbondedKernel.o obj/CudaPmeSolverUtilKernel.o obj/CudaTileListKernel.o obj/DeviceCUDAkernel.o \
-lcudart -lcufft -L/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/lib64 -L/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/lib64 -Wl,--as-needed -Wl,-lcupti -Wl,-lcudart -Wl,--no-as-needed -L/opt/cray/nvidia/default/lib64 -lcuda \
\
\
\
-L.rootdir/tcl/lib -ltcl8.5 -ldl \
\
-L/opt/cray/fftw/3.3.4.10/interlagos/lib/lib -lfftw3f \
obj/dcdplugin.o obj/jsplugin.o obj/namdbinplugin.o obj/pdbplugin.o obj/psfplugin.o \
obj/tcl_psfgen.o obj/charmm_file.o obj/charmm_parse_topo_defs.o obj/extract_alias.o obj/hash.o obj/hasharray.o obj/memarena.o obj/pdb_file.o obj/pdb_file_extract.o obj/psf_file.o obj/psf_file_extract.o obj/topo_defs.o obj/topo_mol.o obj/topo_mol_output.o obj/topo_mol_pluginio.o obj/stringhash.o \
\
\
-lm -o namd2
Verbose mode set
Adding file obj/buildinfo.o...
Adding file obj/ComputeMoa.o...
Adding file obj/ComputeMsm.o...
Adding file obj/ComputeMsmMsa.o...
Adding file obj/ComputeMsmSerial.o...
Adding file obj/ComputeFmmSerial.o...
Adding file obj/msm.o...
Adding file obj/msm_longrng.o...
Adding file obj/msm_longrng_sprec.o...
Adding file obj/msm_setup.o...
Adding file obj/msm_shortrng.o...
Adding file obj/msm_shortrng_sprec.o...
Adding file obj/wkfutils.o...
Adding file obj/common.o...
Adding file obj/dcdlib.o...
Adding file obj/eabf1D.o...
Adding file obj/eabf2D.o...
Adding file obj/eabffunc.o...
Adding file obj/eabfTcl.o...
Adding file obj/erf.o...
Adding file obj/fitrms.o...
Adding file obj/main.o...
Adding file obj/mainfunc.o...
Adding file obj/memusage.o...
Adding file obj/strlib.o...
Adding file obj/AlgSeven.o...
Adding file obj/AlgRecBisection.o...
Adding file obj/AlgNbor.o...
Adding file obj/AtomMap.o...
Adding file obj/BackEnd.o...
Adding file obj/BroadcastMgr.o...
Adding file obj/BroadcastClient.o...
Adding file obj/CollectionMaster.o...
Adding file obj/CollectionMgr.o...
Adding file obj/Communicate.o...
Adding file obj/Compute.o...
Adding file obj/ComputeAngles.o...
Adding file obj/ComputeAniso.o...
Adding file obj/ComputeBonds.o...
Adding file obj/ComputeConsForce.o...
Adding file obj/ComputeConsForceMsgs.o...
Adding file obj/ComputeCrossterms.o...
Adding file obj/ComputeCUDAMgr.o...
Adding file obj/ComputeCylindricalBC.o...
Adding file obj/ComputeDihedrals.o...
Adding file obj/ComputeDPME.o...
Adding file obj/ComputeDPMEMsgs.o...
Adding file obj/ComputeDPMTA.o...
Adding file obj/ComputeEField.o...
Adding file obj/ComputeEwald.o...
Adding file obj/ComputeExt.o...
Adding file obj/ComputeQM.o...
Adding file obj/ComputeGBISser.o...
Adding file obj/ComputeGBIS.o...
Adding file obj/ComputeGromacsPair.o...
Adding file obj/ComputeLCPO.o...
Adding file obj/ComputeFullDirect.o...
Adding file obj/ComputeHomePatch.o...
Adding file obj/ComputeHomePatches.o...
Adding file obj/ComputeImpropers.o...
Adding file obj/ComputeGlobal.o...
Adding file obj/ComputeGlobalMsgs.o...
Adding file obj/ComputeGridForce.o...
Adding file obj/ComputeMap.o...
Adding file obj/ComputeMgr.o...
Adding file obj/ComputeNonbondedSelf.o...
Adding file obj/ComputeNonbondedPair.o...
Adding file obj/ComputeNonbondedUtil.o...
Adding file obj/ComputeNonbondedStd.o...
Adding file obj/ComputeNonbondedFEP.o...
Adding file obj/ComputeNonbondedGo.o...
Adding file obj/ComputeNonbondedTI.o...
Adding file obj/ComputeNonbondedLES.o...
Adding file obj/ComputeNonbondedPProf.o...
Adding file obj/ComputeNonbondedTabEnergies.o...
Adding file obj/ComputeNonbondedCUDA.o...
Adding file obj/ComputeNonbondedCUDAExcl.o...
Adding file obj/ComputeNonbondedMIC.o...
Adding file obj/ComputeNonbondedMICKernel.o...
Adding file obj/ComputePatch.o...
Adding file obj/ComputePatchPair.o...
Adding file obj/ComputePme.o...
Adding file obj/ComputePmeCUDA.o...
Adding file obj/ComputePmeCUDAMgr.o...
Adding file obj/OptPme.o...
Adding file obj/OptPmeRealSpace.o...
Adding file obj/ComputeRestraints.o...
Adding file obj/ComputeSphericalBC.o...
Adding file obj/ComputeStir.o...
Adding file obj/ComputeTclBC.o...
Adding file obj/ComputeThole.o...
Adding file obj/ConfigList.o...
Adding file obj/Controller.o...
Adding file obj/CudaComputeNonbonded.o...
Adding file obj/CudaPmeSolver.o...
Adding file obj/CudaPmeSolverUtil.o...
Adding file obj/CudaUtils.o...
Adding file obj/ccsinterface.o...
Adding file obj/DataStream.o...
Adding file obj/DeviceCUDA.o...
Adding file obj/DumpBench.o...
Adding file obj/FreeEnergyAssert.o...
Adding file obj/FreeEnergyGroup.o...
Adding file obj/FreeEnergyLambda.o...
Adding file obj/FreeEnergyLambdMgr.o...
Adding file obj/FreeEnergyParse.o...
Adding file obj/FreeEnergyRestrain.o...
Adding file obj/FreeEnergyRMgr.o...
Adding file obj/FreeEnergyVector.o...
Adding file obj/fstream_namd.o...
Adding file obj/GlobalMaster.o...
Adding file obj/GlobalMasterServer.o...
Adding file obj/GlobalMasterTest.o...
Adding file obj/GlobalMasterIMD.o...
Adding file obj/GlobalMasterTcl.o...
Adding file obj/GlobalMasterSMD.o...
Adding file obj/GlobalMasterTMD.o...
Adding file obj/Matrix4Symmetry.o...
Adding file obj/GlobalMasterSymmetry.o...
Adding file obj/GlobalMasterFreeEnergy.o...
Adding file obj/GlobalMasterEasy.o...
Adding file obj/GlobalMasterMisc.o...
Adding file obj/colvar.o...
Adding file obj/colvaratoms.o...
Adding file obj/colvarbias.o...
Adding file obj/colvarbias_abf.o...
Adding file obj/colvarbias_alb.o...
Adding file obj/colvarbias_histogram.o...
Adding file obj/colvarbias_meta.o...
Adding file obj/colvarbias_restraint.o...
Adding file obj/colvarcomp.o...
Adding file obj/colvarcomp_angles.o...
Adding file obj/colvarcomp_coordnums.o...
Adding file obj/colvarcomp_distances.o...
Adding file obj/colvarcomp_protein.o...
Adding file obj/colvarcomp_rotations.o...
Adding file obj/colvardeps.o...
Adding file obj/colvargrid.o...
Adding file obj/colvarmodule.o...
Adding file obj/colvarparse.o...
Adding file obj/colvarproxy_namd.o...
Adding file obj/colvarscript.o...
Adding file obj/colvartypes.o...
Adding file obj/colvarvalue.o...
Adding file obj/GridForceGrid.o...
Adding file obj/GromacsTopFile.o...
Adding file obj/heap.o...
Adding file obj/HomePatch.o...
Adding file obj/IMDOutput.o...
Adding file obj/InfoStream.o...
Adding file obj/LdbCoordinator.o...
Adding file obj/LJTable.o...
Adding file obj/Measure.o...
Adding file obj/MGridforceParams.o...
Adding file obj/MStream.o...
Adding file obj/MigrateAtomsMsg.o...
Adding file obj/Molecule.o...
Adding file obj/Molecule2.o...
Adding file obj/GoMolecule.o...
Adding file obj/MoleculeQM.o...
Adding file obj/NamdCentLB.o...
Adding file obj/NamdNborLB.o...
Adding file obj/NamdHybridLB.o...
Adding file obj/NamdDummyLB.o...
Adding file obj/NamdState.o...
Adding file obj/NamdOneTools.o...
Adding file obj/Node.o...
Adding file obj/Output.o...
Adding file obj/Parameters.o...
Adding file obj/ParseOptions.o...
Adding file obj/Patch.o...
Adding file obj/PatchMgr.o...
Adding file obj/PatchMap.o...
Adding file obj/PDB.o...
Adding file obj/PDBData.o...
Adding file obj/PmeKSpace.o...
Adding file obj/PmeRealSpace.o...
Adding file obj/PmeSolver.o...
Adding file obj/ProcessorPrivate.o...
Adding file obj/ProxyMgr.o...
Adding file obj/ProxyPatch.o...
Adding file obj/Rebalancer.o...
Adding file obj/RecBisection.o...
Adding file obj/ReductionMgr.o...
Adding file obj/RefineOnly.o...
Adding file obj/RefineTorusLB.o...
Adding file obj/ScriptTcl.o...
Adding file obj/Sequencer.o...
Adding file obj/Set.o...
Adding file obj/Settle.o...
Adding file obj/SimParameters.o...
Adding file obj/SortAtoms.o...
Adding file obj/Sync.o...
Adding file obj/TclCommands.o...
Adding file obj/TorusLB.o...
Adding file obj/WorkDistrib.o...
Adding file obj/pub3dfft.o...
Adding file obj/vmdsock.o...
Adding file obj/parm.o...
Adding file obj/imd.o...
Adding file obj/CompressPsf.o...
Adding file obj/PluginIOMgr.o...
Adding file obj/DataExchanger.o...
Adding file obj/ParallelIOMgr.o...
Adding file obj/ComputeNonbondedCUDAKernel.o...
Adding file obj/ComputePmeCUDAKernel.o...
Adding file obj/CudaComputeGBISKernel.o...
Adding file obj/CudaComputeNonbondedKernel.o...
Adding file obj/CudaPmeSolverUtilKernel.o...
Adding file obj/CudaTileListKernel.o...
Adding file obj/DeviceCUDAkernel.o...
Adding file obj/dcdplugin.o...
Adding file obj/jsplugin.o...
Adding file obj/namdbinplugin.o...
Adding file obj/pdbplugin.o...
Adding file obj/psfplugin.o...
Adding file obj/tcl_psfgen.o...
Adding file obj/charmm_file.o...
Adding file obj/charmm_parse_topo_defs.o...
Adding file obj/extract_alias.o...
Adding file obj/hash.o...
Adding file obj/hasharray.o...
Adding file obj/memarena.o...
Adding file obj/pdb_file.o...
Adding file obj/pdb_file_extract.o...
Adding file obj/psf_file.o...
Adding file obj/psf_file_extract.o...
Adding file obj/topo_defs.o...
Adding file obj/topo_mol.o...
Adding file obj/topo_mol_output.o...
Adding file obj/topo_mol_pluginio.o...
Adding file obj/stringhash.o...
OpenMP support not enabled
charmc> ----------- Module dependency search ------------
charmc> ----------- Module dependency search complete ------------
charmc: Executing CC -I/opt/cray/gni-headers/4.0-1.0502.10859.7.8.gem/include -I/opt/cray/ugni/6.0-1.0502.10863.8.28.gem/include -D_REENTRANT -D__CHARMC__=1 -DCMK_OPTIMIZE=1 -Iinc -Isrc -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -U_FORTIFY_SOURCE -std=c++0x -c moduleinit21801.C -o moduleinit21801.o
Adding registration for module NeighborLB
Adding registration for module HybridLB
Adding registration for module RefineLB
Adding registration for module GreedyLB
Adding registration for module CkMulticast
Adding registration for module CkLoop
charmc: Executing CC -I/opt/cray/gni-headers/4.0-1.0502.10859.7.8.gem/include -I/opt/cray/ugni/6.0-1.0502.10863.8.28.gem/include -D_REENTRANT -rdynamic -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -L/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/lib64 -L/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/lib64 -L/opt/cray/nvidia/default/lib64 -L.rootdir/tcl/lib -L/opt/cray/fftw/3.3.4.10/interlagos/lib/lib -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -o namd2 -L.rootdir/charm-6.7.1/gni-crayxe-smp/bin/../lib -I.rootdir/charm-6.7.1/gni-crayxe-smp/bin/../include obj/buildinfo.o obj/ComputeMoa.o obj/ComputeMsm.o obj/ComputeMsmMsa.o obj/ComputeMsmSerial.o obj/ComputeFmmSerial.o obj/msm.o obj/msm_longrng.o obj/msm_longrng_sprec.o obj/msm_setup.o obj/msm_shortrng.o obj/msm_shortrng_sprec.o obj/wkfutils.o obj/common.o obj/dcdlib.o obj/eabf1D.o obj/eabf2D.o obj/eabffunc.o obj/eabfTcl.o obj/erf.o obj/fitrms.o obj/main.o obj/mainfunc.o obj/memusage.o obj/strlib.o obj/AlgSeven.o obj/AlgRecBisection.o obj/AlgNbor.o obj/AtomMap.o obj/BackEnd.o obj/BroadcastMgr.o obj/BroadcastClient.o obj/CollectionMaster.o obj/CollectionMgr.o obj/Communicate.o obj/Compute.o obj/ComputeAngles.o obj/ComputeAniso.o obj/ComputeBonds.o obj/ComputeConsForce.o obj/ComputeConsForceMsgs.o obj/ComputeCrossterms.o obj/ComputeCUDAMgr.o obj/ComputeCylindricalBC.o obj/ComputeDihedrals.o obj/ComputeDPME.o obj/ComputeDPMEMsgs.o obj/ComputeDPMTA.o obj/ComputeEField.o obj/ComputeEwald.o obj/ComputeExt.o obj/ComputeQM.o obj/ComputeGBISser.o obj/ComputeGBIS.o obj/ComputeGromacsPair.o obj/ComputeLCPO.o obj/ComputeFullDirect.o obj/ComputeHomePatch.o obj/ComputeHomePatches.o obj/ComputeImpropers.o obj/ComputeGlobal.o obj/ComputeGlobalMsgs.o obj/ComputeGridForce.o obj/ComputeMap.o obj/ComputeMgr.o obj/ComputeNonbondedSelf.o obj/ComputeNonbondedPair.o obj/ComputeNonbondedUtil.o obj/ComputeNonbondedStd.o obj/ComputeNonbondedFEP.o obj/ComputeNonbondedGo.o obj/ComputeNonbondedTI.o obj/ComputeNonbondedLES.o obj/ComputeNonbondedPProf.o obj/ComputeNonbondedTabEnergies.o obj/ComputeNonbondedCUDA.o obj/ComputeNonbondedCUDAExcl.o obj/ComputeNonbondedMIC.o obj/ComputeNonbondedMICKernel.o obj/ComputePatch.o obj/ComputePatchPair.o obj/ComputePme.o obj/ComputePmeCUDA.o obj/ComputePmeCUDAMgr.o obj/OptPme.o obj/OptPmeRealSpace.o obj/ComputeRestraints.o obj/ComputeSphericalBC.o obj/ComputeStir.o obj/ComputeTclBC.o obj/ComputeThole.o obj/ConfigList.o obj/Controller.o obj/CudaComputeNonbonded.o obj/CudaPmeSolver.o obj/CudaPmeSolverUtil.o obj/CudaUtils.o obj/ccsinterface.o obj/DataStream.o obj/DeviceCUDA.o obj/DumpBench.o obj/FreeEnergyAssert.o obj/FreeEnergyGroup.o obj/FreeEnergyLambda.o obj/FreeEnergyLambdMgr.o obj/FreeEnergyParse.o obj/FreeEnergyRestrain.o obj/FreeEnergyRMgr.o obj/FreeEnergyVector.o obj/fstream_namd.o obj/GlobalMaster.o obj/GlobalMasterServer.o obj/GlobalMasterTest.o obj/GlobalMasterIMD.o obj/GlobalMasterTcl.o obj/GlobalMasterSMD.o obj/GlobalMasterTMD.o obj/Matrix4Symmetry.o obj/GlobalMasterSymmetry.o obj/GlobalMasterFreeEnergy.o obj/GlobalMasterEasy.o obj/GlobalMasterMisc.o obj/colvar.o obj/colvaratoms.o obj/colvarbias.o obj/colvarbias_abf.o obj/colvarbias_alb.o obj/colvarbias_histogram.o obj/colvarbias_meta.o obj/colvarbias_restraint.o obj/colvarcomp.o obj/colvarcomp_angles.o obj/colvarcomp_coordnums.o obj/colvarcomp_distances.o obj/colvarcomp_protein.o obj/colvarcomp_rotations.o obj/colvardeps.o obj/colvargrid.o obj/colvarmodule.o obj/colvarparse.o obj/colvarproxy_namd.o obj/colvarscript.o obj/colvartypes.o obj/colvarvalue.o obj/GridForceGrid.o obj/GromacsTopFile.o obj/heap.o obj/HomePatch.o obj/IMDOutput.o obj/InfoStream.o obj/LdbCoordinator.o obj/LJTable.o obj/Measure.o obj/MGridforceParams.o obj/MStream.o obj/MigrateAtomsMsg.o obj/Molecule.o obj/Molecule2.o obj/GoMolecule.o obj/MoleculeQM.o obj/NamdCentLB.o obj/NamdNborLB.o obj/NamdHybridLB.o obj/NamdDummyLB.o obj/NamdState.o obj/NamdOneTools.o obj/Node.o obj/Output.o obj/Parameters.o obj/ParseOptions.o obj/Patch.o obj/PatchMgr.o obj/PatchMap.o obj/PDB.o obj/PDBData.o obj/PmeKSpace.o obj/PmeRealSpace.o obj/PmeSolver.o obj/ProcessorPrivate.o obj/ProxyMgr.o obj/ProxyPatch.o obj/Rebalancer.o obj/RecBisection.o obj/ReductionMgr.o obj/RefineOnly.o obj/RefineTorusLB.o obj/ScriptTcl.o obj/Sequencer.o obj/Set.o obj/Settle.o obj/SimParameters.o obj/SortAtoms.o obj/Sync.o obj/TclCommands.o obj/TorusLB.o obj/WorkDistrib.o obj/pub3dfft.o obj/vmdsock.o obj/parm.o obj/imd.o obj/CompressPsf.o obj/PluginIOMgr.o obj/DataExchanger.o obj/ParallelIOMgr.o obj/ComputeNonbondedCUDAKernel.o obj/ComputePmeCUDAKernel.o obj/CudaComputeGBISKernel.o obj/CudaComputeNonbondedKernel.o obj/CudaPmeSolverUtilKernel.o obj/CudaTileListKernel.o obj/DeviceCUDAkernel.o obj/dcdplugin.o obj/jsplugin.o obj/namdbinplugin.o obj/pdbplugin.o obj/psfplugin.o obj/tcl_psfgen.o obj/charmm_file.o obj/charmm_parse_topo_defs.o obj/extract_alias.o obj/hash.o obj/hasharray.o obj/memarena.o obj/pdb_file.o obj/pdb_file_extract.o obj/psf_file.o obj/psf_file_extract.o obj/topo_defs.o obj/topo_mol.o obj/topo_mol_output.o obj/topo_mol_pluginio.o obj/stringhash.o moduleinit21801.o -lmoduleCkLoop -lmoduleCkMulticast -lmoduleGreedyLB -lmoduleRefineLB -lmoduleHybridLB -lmoduleNeighborLB -lckmain -lck -lmemory-default -lthreads-default -lconv-cplus-y -lconv-core -lconv-util -lconv-partition -lmemory-default -lthreads-default -lldb-rand -lconv-ldb -lckqt -lpthread -lrt -ldl -lcudart -lcufft -Wl,--as-needed -Wl,-lcupti -Wl,-lcudart -Wl,--no-as-needed -lcuda -ltcl8.5 -ldl -lfftw3f -lm -lmoduleNeighborLB -lmoduleHybridLB -lmoduleRefineLB -lmoduleGreedyLB -lmoduleCkMulticast -lmoduleCkLoop -lm
charmc> All libraries are: -L.rootdir/charm-6.7.1/gni-crayxe-smp/bin/../lib -I.rootdir/charm-6.7.1/gni-crayxe-smp/bin/../include obj/buildinfo.o obj/ComputeMoa.o obj/ComputeMsm.o obj/ComputeMsmMsa.o obj/ComputeMsmSerial.o obj/ComputeFmmSerial.o obj/msm.o obj/msm_longrng.o obj/msm_longrng_sprec.o obj/msm_setup.o obj/msm_shortrng.o obj/msm_shortrng_sprec.o obj/wkfutils.o obj/common.o obj/dcdlib.o obj/eabf1D.o obj/eabf2D.o obj/eabffunc.o obj/eabfTcl.o obj/erf.o obj/fitrms.o obj/main.o obj/mainfunc.o obj/memusage.o obj/strlib.o obj/AlgSeven.o obj/AlgRecBisection.o obj/AlgNbor.o obj/AtomMap.o obj/BackEnd.o obj/BroadcastMgr.o obj/BroadcastClient.o obj/CollectionMaster.o obj/CollectionMgr.o obj/Communicate.o obj/Compute.o obj/ComputeAngles.o obj/ComputeAniso.o obj/ComputeBonds.o obj/ComputeConsForce.o obj/ComputeConsForceMsgs.o obj/ComputeCrossterms.o obj/ComputeCUDAMgr.o obj/ComputeCylindricalBC.o obj/ComputeDihedrals.o obj/ComputeDPME.o obj/ComputeDPMEMsgs.o obj/ComputeDPMTA.o obj/ComputeEField.o obj/ComputeEwald.o obj/ComputeExt.o obj/ComputeQM.o obj/ComputeGBISser.o obj/ComputeGBIS.o obj/ComputeGromacsPair.o obj/ComputeLCPO.o obj/ComputeFullDirect.o obj/ComputeHomePatch.o obj/ComputeHomePatches.o obj/ComputeImpropers.o obj/ComputeGlobal.o obj/ComputeGlobalMsgs.o obj/ComputeGridForce.o obj/ComputeMap.o obj/ComputeMgr.o obj/ComputeNonbondedSelf.o obj/ComputeNonbondedPair.o obj/ComputeNonbondedUtil.o obj/ComputeNonbondedStd.o obj/ComputeNonbondedFEP.o obj/ComputeNonbondedGo.o obj/ComputeNonbondedTI.o obj/ComputeNonbondedLES.o obj/ComputeNonbondedPProf.o obj/ComputeNonbondedTabEnergies.o obj/ComputeNonbondedCUDA.o obj/ComputeNonbondedCUDAExcl.o obj/ComputeNonbondedMIC.o obj/ComputeNonbondedMICKernel.o obj/ComputePatch.o obj/ComputePatchPair.o obj/ComputePme.o obj/ComputePmeCUDA.o obj/ComputePmeCUDAMgr.o obj/OptPme.o obj/OptPmeRealSpace.o obj/ComputeRestraints.o obj/ComputeSphericalBC.o obj/ComputeStir.o obj/ComputeTclBC.o obj/ComputeThole.o obj/ConfigList.o obj/Controller.o obj/CudaComputeNonbonded.o obj/CudaPmeSolver.o obj/CudaPmeSolverUtil.o obj/CudaUtils.o obj/ccsinterface.o obj/DataStream.o obj/DeviceCUDA.o obj/DumpBench.o obj/FreeEnergyAssert.o obj/FreeEnergyGroup.o obj/FreeEnergyLambda.o obj/FreeEnergyLambdMgr.o obj/FreeEnergyParse.o obj/FreeEnergyRestrain.o obj/FreeEnergyRMgr.o obj/FreeEnergyVector.o obj/fstream_namd.o obj/GlobalMaster.o obj/GlobalMasterServer.o obj/GlobalMasterTest.o obj/GlobalMasterIMD.o obj/GlobalMasterTcl.o obj/GlobalMasterSMD.o obj/GlobalMasterTMD.o obj/Matrix4Symmetry.o obj/GlobalMasterSymmetry.o obj/GlobalMasterFreeEnergy.o obj/GlobalMasterEasy.o obj/GlobalMasterMisc.o obj/colvar.o obj/colvaratoms.o obj/colvarbias.o obj/colvarbias_abf.o obj/colvarbias_alb.o obj/colvarbias_histogram.o obj/colvarbias_meta.o obj/colvarbias_restraint.o obj/colvarcomp.o obj/colvarcomp_angles.o obj/colvarcomp_coordnums.o obj/colvarcomp_distances.o obj/colvarcomp_protein.o obj/colvarcomp_rotations.o obj/colvardeps.o obj/colvargrid.o obj/colvarmodule.o obj/colvarparse.o obj/colvarproxy_namd.o obj/colvarscript.o obj/colvartypes.o obj/colvarvalue.o obj/GridForceGrid.o obj/GromacsTopFile.o obj/heap.o obj/HomePatch.o obj/IMDOutput.o obj/InfoStream.o obj/LdbCoordinator.o obj/LJTable.o obj/Measure.o obj/MGridforceParams.o obj/MStream.o obj/MigrateAtomsMsg.o obj/Molecule.o obj/Molecule2.o obj/GoMolecule.o obj/MoleculeQM.o obj/NamdCentLB.o obj/NamdNborLB.o obj/NamdHybridLB.o obj/NamdDummyLB.o obj/NamdState.o obj/NamdOneTools.o obj/Node.o obj/Output.o obj/Parameters.o obj/ParseOptions.o obj/Patch.o obj/PatchMgr.o obj/PatchMap.o obj/PDB.o obj/PDBData.o obj/PmeKSpace.o obj/PmeRealSpace.o obj/PmeSolver.o obj/ProcessorPrivate.o obj/ProxyMgr.o obj/ProxyPatch.o obj/Rebalancer.o obj/RecBisection.o obj/ReductionMgr.o obj/RefineOnly.o obj/RefineTorusLB.o obj/ScriptTcl.o obj/Sequencer.o obj/Set.o obj/Settle.o obj/SimParameters.o obj/SortAtoms.o obj/Sync.o obj/TclCommands.o obj/TorusLB.o obj/WorkDistrib.o obj/pub3dfft.o obj/vmdsock.o obj/parm.o obj/imd.o obj/CompressPsf.o obj/PluginIOMgr.o obj/DataExchanger.o obj/ParallelIOMgr.o obj/ComputeNonbondedCUDAKernel.o obj/ComputePmeCUDAKernel.o obj/CudaComputeGBISKernel.o obj/CudaComputeNonbondedKernel.o obj/CudaPmeSolverUtilKernel.o obj/CudaTileListKernel.o obj/DeviceCUDAkernel.o obj/dcdplugin.o obj/jsplugin.o obj/namdbinplugin.o obj/pdbplugin.o obj/psfplugin.o obj/tcl_psfgen.o obj/charmm_file.o obj/charmm_parse_topo_defs.o obj/extract_alias.o obj/hash.o obj/hasharray.o obj/memarena.o obj/pdb_file.o obj/pdb_file_extract.o obj/psf_file.o obj/psf_file_extract.o obj/topo_defs.o obj/topo_mol.o obj/topo_mol_output.o obj/topo_mol_pluginio.o obj/stringhash.o moduleinit21801.o -lmoduleCkLoop -lmoduleCkMulticast -lmoduleGreedyLB -lmoduleRefineLB -lmoduleHybridLB -lmoduleNeighborLB -lckmain -lck -lmemory-default -lthreads-default -lconv-cplus-y -lconv-core -lconv-util -lconv-partition -lmemory-default -lthreads-default -lldb-rand -lconv-ldb -lckqt -lpthread -lrt -ldl -lcudart -lcufft -Wl,--as-needed -Wl,-lcupti -Wl,-lcudart -Wl,--no-as-needed -lcuda -ltcl8.5 -ldl -lfftw3f -lm -lmoduleNeighborLB -lmoduleHybridLB -lmoduleRefineLB -lmoduleGreedyLB -lmoduleCkMulticast -lmoduleCkLoop -lm
charmc: Executing rm -f charmrun
charmc: Executing cp -p .rootdir/charm-6.7.1/gni-crayxe-smp/bin/charmrun charmrun
INFO: The qsub '-V' option is deprecated. Please include your environment variables directly in your job script.
INFO: The qsub '-V' option is deprecated. Please include your environment variables directly in your job script.
INFO: The qsub '-V' option is deprecated. Please include your environment variables directly in your job script.
INFO: The qsub '-V' option is deprecated. Please include your environment variables directly in your job script.
INFO: The qsub '-V' option is deprecated. Please include your environment variables directly in your job script.
INFO: The qsub '-V' option is deprecated. Please include your environment variables directly in your job script.
rm -f moduleinit21801.C moduleinit21801.o
/mnt/a/u/system/bwjenkins/namd-spp/namd-spp-1.0
1 #!/bin/bash
2 #PBS -V
3 #PBS -j oe
4 #PBS -o $PBS_JOBID/pbs.out
5 #PBS -N NAMD
6 #PBS -l walltime=1:00:00
7 #PBS -l nodes=100:ppn=32:xe
8 ##PBS -q debug
9
10 cd $PBS_O_WORKDIR
11
12 mkdir $PBS_JOBID
13 cd $PBS_JOBID
14
15 execfile=$PBS_O_WORKDIR/namd2-cpu
16 inputfile=$PBS_O_WORKDIR/chromat100/chromat100-bench.namd
17 logfile=$PBS_JOBID
18
19 export NAMDNSTEPS=2000
20 export NAMDOUTDIR="${PBS_O_WORKDIR}/${PBS_JOBID}"
21
22 source ${MODULESHOME}/init/bash
23 module swap PrgEnv-cray PrgEnv-gnu
24 module load rca
25 module load craype-hugepages8M
26 module list
27
28 export HUGETLB_DEFAULT_PAGE_SIZE=8M
29 export HUGETLB_MORECORE=no
30 export ATP_ENABLED=1
31 ulimit -c unlimited
32
33 export APRUN_BALANCED_INJECTION=32
34
35 sleep 60
36 echo Starting at `date`
37
38 aprun -n 400 -N 4 -d 8 $execfile +ppn 7 +pemap 1-7,9-15,17-23,25-31 +commap 0,8,16,24 $inputfile >& $logfile
39
40 echo Ending at `date`
41 sleep 60
42
INFO: Job submitted to account: jnc
MYJOBID=8296983.bw
=== RUNNING /u/system/bwjenkins/bin/wait_for.sh ===
Fri Mar 9 16:49:24 CST 2018: waiting for 8296983.bw to finish
Fri Mar 9 16:54:28 CST 2018: waiting for 8296983.bw to finish
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qstat: Unknown Job Id Error 8296983.bw
8296983.bw finished
Info: ENERGY OUTPUT STEPS 200
Info: CROSSTERM ENERGY INCLUDED IN DIHEDRAL
Info: INCONSISTENCY IN FAST TABLE ENERGY VS FORCE: 0.000325096 AT 11.9556
Info: INCONSISTENCY IN SCOR TABLE ENERGY VS FORCE: 0.000324844 AT 11.9556
Info: INCONSISTENCY IN VDWA TABLE ENERGY VS FORCE: 0.0040507 AT 0.251946
Info: INCONSISTENCY IN VDWB TABLE ENERGY VS FORCE: 0.00150189 AT 0.251946
ENERGY: 0 862368.3646 20606396.3109 1749214.6220 152022.8999 -370808357.2701 34496069.0570 0.0000 0.0000 69208716.2169 -243733569.7987 296.9741 -312942286.0157 -243190413.0882 296.9741 -107.3698 7.8259 979501677.5393 -107.3698 7.8259
ENERGY: 200 875622.6538 20897046.1561 1750188.1371 152833.7680 -370519133.3060 34391853.6597 0.0000 0.0000 68901553.8199 -243550035.1114 295.6561 -312451588.9312 -242997953.7920 295.6219 -132.7090 -17.8291 979772358.8700 0.8458 0.8461
ENERGY: 400 878512.1991 20921728.5052 1749527.9738 153613.6091 -370504042.3380 34400564.0248 0.0000 0.0000 68942338.7489 -243457757.2771 295.8311 -312400096.0260 -242903198.0098 295.8224 -126.7735 -12.0355 979714410.7347 1.1708 1.1760
ENERGY: 600 877258.4316 20951280.9353 1750703.1525 152932.3958 -370490889.0665 34389053.0921 0.0000 0.0000 68969860.5890 -243399800.4700 295.9492 -312369661.0590 -242843487.0172 295.9378 -129.4688 -14.9627 979739422.7041 1.2653 1.2598
ENERGY: 800 873976.5135 20970416.0585 1750729.6528 153087.7136 -370578081.9843 34498267.7555 0.0000 0.0000 69003529.7746 -243328074.5159 296.0936 -312331604.2905 -242772254.1724 296.0525 -78.8664 35.9586 979578257.7744 0.9336 0.9372
ENERGY: 1000 875160.6808 20981571.1937 1751322.3916 153435.1762 -370528306.8068 34478819.7999 0.0000 0.0000 69010463.3851 -243277534.1796 296.1234 -312287997.5647 -242721097.2901 296.1614 -77.7608 36.9049 979577496.4911 0.5494 0.5528
ENERGY: 1200 878362.8394 20974666.3846 1750898.6099 153300.3344 -370425073.4580 34389554.5777 0.0000 0.0000 69031908.1322 -243246382.5798 296.2154 -312278290.7120 -242688439.7695 296.2358 -122.2449 -7.2710 979819815.2352 1.0064 1.0081
ENERGY: 1400 878591.3886 20987997.2885 1750535.8399 153300.3235 -370418424.0421 34386473.9536 0.0000 0.0000 69047616.5147 -243213908.7334 296.2828 -312261525.2481 -242655674.0533 296.2844 -127.5653 -12.4935 979890222.9293 1.3739 1.3730
ENERGY: 1600 876892.6018 20990757.9585 1750539.4074 152899.5100 -370371134.4825 34361611.8178 0.0000 0.0000 69057104.5469 -243181328.6401 296.3235 -312238433.1870 -242622909.7220 296.3233 -129.4063 -14.4321 979903802.8790 0.9902 0.9961
ENERGY: 1800 876407.2880 20998562.8364 1750088.0425 153483.8307 -370409132.7241 34412677.4344 0.0000 0.0000 69059507.3903 -243158405.9018 296.3338 -312217913.2921 -242599632.4741 296.3693 -111.5457 3.3572 979824812.3784 0.9281 0.9295
ENERGY: 2000 875816.4312 21003589.6890 1750159.8040 153280.4751 -370420863.5695 34425390.3305 0.0000 0.0000 69065971.9315 -243146654.9082 296.3616 -312212626.8397 -242587712.1310 296.4012 -99.7456 14.8359 979736237.1251 0.8111 0.8145
1 YVALUE= 1412.324219
[SSH] exit-status: 0
[namd-spp] $ /bin/sh -xe /tmp/jenkins5228449902765168654.sh
+ rm -rf /var/lib/jenkins/workspace/namd-spp/wallclock.txt
+ scp 'BW_REMOTE:~/namd-spp/wallclock.txt' /var/lib/jenkins/workspace/namd-spp
Access by OTP or Two Factor Certificate Authority only.
Use myproxy-logon -s tfca.ncsa.illinois.edu -p 7512 for gsissh access.
gsissh or ssh -o PreferredAuthentications=keyboard-interactive for otp access.
Blue Waters Admin Team
Recording plot data
Saving plot series data from: /var/lib/jenkins/workspace/namd-spp/wallclock.txt
Finished: SUCCESS
![[Jenkins]](/static/755cd4af/images/svgs/logo.svg){kind=logo}
