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Adding better error output to LAMMPS routines.

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This commit is contained in:
W. Michael Brown
2011-04-03 11:51:26 -04:00
parent b3213484e5
commit 86f7f6cd42
67 changed files with 983 additions and 795 deletions
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52
lib/gpu/pair_gpu_device.cpp
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@ -130,15 +130,22 @@ bool PairGPUDeviceT::init_device(MPI_Comm world, MPI_Comm replica,
return true;
}
/** Success will be:
* - 0 if successfull
* - -1 if fix gpu not found
* - -3 if there is an out of memory error
* - -4 if the GPU library was not compiled for GPU
* - -5 Double precision is not supported on card **/
template <class numtyp, class acctyp>
bool PairGPUDeviceT::init(PairGPUAns<numtyp,acctyp> &ans, const bool charge,
const bool rot, const int nlocal,
const int host_nlocal, const int nall,
PairGPUNbor *nbor, const int maxspecial,
const int gpu_host, const int max_nbors,
const double cell_size, const bool pre_cut) {
int PairGPUDeviceT::init(PairGPUAns<numtyp,acctyp> &ans, const bool charge,
const bool rot, const int nlocal,
const int host_nlocal, const int nall,
PairGPUNbor *nbor, const int maxspecial,
const int gpu_host, const int max_nbors,
const double cell_size, const bool pre_cut) {
if (!_device_init)
return false;
return -1;
// Counts of data transfers for timing overhead estimates
_data_in_estimate=0;
@ -156,7 +163,7 @@ bool PairGPUDeviceT::init(PairGPUAns<numtyp,acctyp> &ans, const bool charge,
if (_init_count==0) {
// Initialize atom and nbor data
if (!atom.init(nall,charge,rot,*gpu,gpu_nbor,gpu_nbor && maxspecial>0))
return false;
return -3;
compile_kernels();
_data_in_estimate++;
if (charge)
@ -168,40 +175,42 @@ bool PairGPUDeviceT::init(PairGPUAns<numtyp,acctyp> &ans, const bool charge,
_data_in_estimate++;
if (atom.quat()==false && rot)
_data_in_estimate++;
atom.add_fields(charge,rot,gpu_nbor,gpu_nbor && maxspecial);
if (!atom.add_fields(charge,rot,gpu_nbor,gpu_nbor && maxspecial))
return -3;
}
if (!ans.init(ef_nlocal,charge,rot,*gpu))
return false;
return -3;
if (!nbor->init(&_nbor_shared,ef_nlocal,host_nlocal,max_nbors,maxspecial,
*gpu,gpu_nbor,gpu_host,pre_cut))
return false;
return -3;
nbor->cell_size(cell_size);
_init_count++;
return true;
return 0;
}
template <class numtyp, class acctyp>
bool PairGPUDeviceT::init(PairGPUAns<numtyp,acctyp> &ans, const int nlocal,
const int nall) {
int PairGPUDeviceT::init(PairGPUAns<numtyp,acctyp> &ans, const int nlocal,
const int nall) {
if (!_device_init)
return false;
return -1;
if (_init_count==0) {
// Initialize atom and nbor data
if (!atom.init(nall,true,false,*gpu,false,false))
return false;
return -3;
compile_kernels();
} else
atom.add_fields(true,false,false,false);
if (!atom.add_fields(true,false,false,false))
return -3;
if (!ans.init(nlocal,true,false,*gpu))
return false;
return -3;
_init_count++;
return true;
return 0;
}
template <class numtyp, class acctyp>
@ -238,7 +247,10 @@ void PairGPUDeviceT::init_message(FILE *screen, const char *name,
fprintf(screen,"-------------------------------------");
fprintf(screen,"-------------------------------------\n");
for (int i=first_gpu; i<=last_gpu; i++) {
int last=last_gpu+1;
if (last>gpu->num_devices())
last=gpu->num_devices();
for (int i=first_gpu; i<last; i++) {
std::string sname=gpu->name(i)+", "+toa(gpu->cores(i))+" cores, "+fs+
toa(gpu->gigabytes(i))+" GB, "+toa(gpu->clock_rate(i))+
" GHZ (";