static int vmdinfo_tcl(ClientData, Tcl_Interp *interp,
int argc, const char *argv[]) {
VMDApp *app = (VMDApp *)Tcl_GetAssocData(interp, "VMDApp", NULL);
if (argc == 2) {
SIMPLE_TCL_OPT("version", VMDVERSION);
SIMPLE_TCL_OPT("versionmsg", VERSION_MSG);
SIMPLE_TCL_OPT("authors", VMD_AUTHORS);
SIMPLE_TCL_OPT("arch", VMD_ARCH);
SIMPLE_TCL_OPT("options", VMD_OPTIONS);
SIMPLE_TCL_OPT("www", VMD_HOMEPAGE);
SIMPLE_TCL_OPT("wwwhelp", VMD_HELPPAGE);
// return the estimated amount of available physical memory
if (!strcmp(argv[1], "freemem")) {
long vmdcorefree = vmd_get_avail_physmem_mb();
Tcl_Obj *tcl_result = Tcl_NewListObj(0, NULL);
Tcl_ListObjAppendElement(interp, tcl_result, Tcl_NewIntObj(vmdcorefree));
Tcl_SetObjResult(interp, tcl_result);
return TCL_OK;
}
// return the number of available CPU cores
if (!strcmp(argv[1], "numcpus")) {
#if defined(VMDTHREADS)
int numcpus = wkf_thread_numprocessors();
#else
int numcpus = 1;
#endif
Tcl_Obj *tcl_result = Tcl_NewListObj(0, NULL);
Tcl_ListObjAppendElement(interp, tcl_result, Tcl_NewIntObj(numcpus));
Tcl_SetObjResult(interp, tcl_result);
return TCL_OK;
}
// return the CPU affinity list for the VMD process
if (!strcmp(argv[1], "cpuaffinity")) {
int numcpus = -1;
int *cpuaffinitylist = NULL;
#if defined(VMDTHREADS)
cpuaffinitylist = wkf_cpu_affinitylist(&numcpus);
#endif
if (numcpus > 0 && cpuaffinitylist != NULL) {
int i;
Tcl_Obj *tcl_result = Tcl_NewListObj(0, NULL);
for (i=0; i<numcpus; i++)
Tcl_ListObjAppendElement(interp, tcl_result, Tcl_NewIntObj(cpuaffinitylist[i]));
Tcl_SetObjResult(interp, tcl_result);
return TCL_OK;
}
if (cpuaffinitylist != NULL)
free(cpuaffinitylist);
Tcl_AppendResult(interp, "CPU affinity query unavailable on this platform", NULL);
return TCL_ERROR;
}
// return the number of available CUDA devices
if (!strcmp(argv[1], "numcudadevices")) {
int numdevices;
#if defined(VMDCUDA)
vmd_cuda_num_devices(&numdevices);
#else
numdevices = 0;
#endif
Tcl_Obj *tcl_result = Tcl_NewListObj(0, NULL);
Tcl_ListObjAppendElement(interp, tcl_result, Tcl_NewIntObj(numdevices));
Tcl_SetObjResult(interp, tcl_result);
return TCL_OK;
}
// return the active display device (e.g. "text", "win", "cave", ...)
if (!strcmp(argv[1], "dispdev")) {
const char *disp = VMDgetDisplayTypeName();
Tcl_AppendResult(interp, disp, NULL);
return TCL_OK;
}
// return the MPI node name
if (!strcmp(argv[1], "nodename")) {
Tcl_Obj *tcl_result = Tcl_NewListObj(0, NULL);
Tcl_ListObjAppendElement(interp, tcl_result, Tcl_NewStringObj(app->par_name(), strlen(app->par_name())));
Tcl_SetObjResult(interp, tcl_result);
return TCL_OK;
}
// return the MPI node rank
if (!strcmp(argv[1], "noderank")) {
Tcl_Obj *tcl_result = Tcl_NewListObj(0, NULL);
Tcl_ListObjAppendElement(interp, tcl_result, Tcl_NewIntObj(app->par_rank()));
Tcl_SetObjResult(interp, tcl_result);
return TCL_OK;
}
// return the MPI node count
if (!strcmp(argv[1], "nodecount")) {
Tcl_Obj *tcl_result = Tcl_NewListObj(0, NULL);
Tcl_ListObjAppendElement(interp, tcl_result, Tcl_NewIntObj(app->par_size()));
Tcl_SetObjResult(interp, tcl_result);
return TCL_OK;
}
}
Tcl_AppendResult(interp,
"vmdinfo: version | versionmsg | authors | arch | \n"
"freemem | numcpus | cpuaffinity | numcudadevices | \n"
"dispdev | nodename | noderank | nodecount | \n"
"options | www | wwwhelp", NULL);
return TCL_ERROR;
}
CUDAAccel::CUDAAccel(void) {
cudaavail = 0;
numdevices = 0;
int usabledevices = 0;
cudapool=NULL;
if (getenv("VMDNOCUDA") != NULL) {
msgInfo << "VMDNOCUDA environment variable is set, CUDA support disabled."
<< sendmsg;
return;
}
unsigned int gpumask = 0xffffffff;
const char *gpumaskstr = getenv("VMDCUDADEVICEMASK");
if (gpumaskstr != NULL) {
unsigned int tmp;
if (sscanf(gpumaskstr, "%x", &tmp) == 1) {
gpumask = tmp;
msgInfo << "Using GPU device mask '"
<< gpumaskstr << "'" << sendmsg;
} else {
msgInfo << "Failed to parse CUDA GPU device mask string '"
<< gpumaskstr << "'" << sendmsg;
}
}
#if defined(VMDCUDA)
int rc = 0;
if ((rc=vmd_cuda_num_devices(&numdevices)) != VMDCUDA_ERR_NONE) {
numdevices = 0;
// Only emit error messages when there are CUDA GPUs on the machine
// but that they can't be used for some reason
// XXX turning this off for the time being, as some people have
// NVIDIA drivers installed on machines with no NVIDIA GPU, as can
// happen with some distros that package the drivers by default.
switch (rc) {
case VMDCUDA_ERR_NODEVICES:
case VMDCUDA_ERR_SOMEDEVICES:
// msgInfo << "No CUDA accelerator devices available." << sendmsg;
break;
#if 0
case VMDCUDA_ERR_SOMEDEVICES:
msgWarn << "One or more CUDA accelerators may exist but are not usable." << sendmsg;
msgWarn << "Check to make sure that GPU drivers are up to date." << sendmsg;
break;
#endif
case VMDCUDA_ERR_DRVMISMATCH:
msgWarn << "Detected a mismatch between CUDA runtime and GPU driver" << sendmsg;
msgWarn << "Check to make sure that GPU drivers are up to date." << sendmsg;
// msgInfo << "No CUDA accelerator devices available." << sendmsg;
break;
}
return;
}
if (numdevices > 0) {
cudaavail = 1;
int i;
for (i=0; i<numdevices; i++) {
cudadevprops dp;
memset(&dp, 0, sizeof(dp));
if (!vmd_cuda_device_props(i, dp.name, sizeof(dp.name),
&dp.major, &dp.minor,
&dp.membytes, &dp.clockratekhz,
&dp.smcount, &dp.overlap,
&dp.kernelexectimeoutenabled,
&dp.canmaphostmem, &dp.computemode)) {
dp.deviceid=i; // save the device index
// Check that each GPU device has not been excluded by virtue of
// being used for display, by a GPU device mask, or by the CUDA
// device mode being set to a "prohibited" status.
if (!(dp.kernelexectimeoutenabled && getenv("VMDCUDANODISPLAYGPUS")) &&
(gpumask & (1 << i)) &&
(dp.computemode != computeModeProhibited)) {
devprops.append(dp);
usabledevices++;
}
} else {
msgWarn << " Failed to retrieve properties for CUDA accelerator " << i << sendmsg;
}
}
}
numdevices=usabledevices;
devpool_init();
#endif
}
