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Fixing issue from recent GPU package update with OMP_NUM_THREADS env being overridden in GPU library.

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Fixing race condition with OpenMP for GPU styles using torque (missed in regression tests due to the first fix)
Documenting GPU package option for setting the number of threads (consistent with USER-INTEL and USER-OMP).
This commit is contained in:
Michael Brown
2021-02-18 21:08:18 -08:00
parent 53fdaa5741
commit 45c782308c
6 changed files with 77 additions and 85 deletions
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12
lib/gpu/lal_device.h
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@ -49,10 +49,10 @@ class Device {
* - -11 if config_string has the wrong number of parameters **/
int init_device(MPI_Comm world, MPI_Comm replica, const int ngpu,
const int first_gpu_id, const int gpu_mode,
const double particle_split, const int nthreads,
const int t_per_atom, const double user_cell_size,
char *config_string, const int ocl_platform,
char *device_type_flags, const int block_pair);
const double particle_split, const int t_per_atom,
const double user_cell_size, char *config_string,
const int ocl_platform, char *device_type_flags,
const int block_pair);
/// Initialize the device for Atom storage
/** \param charge True if charges need to be stored
@ -201,8 +201,6 @@ class Device {
/// Return the number of procs sharing a device (size of device communicator)
inline int procs_per_gpu() const { return _procs_per_gpu; }
/// Return the number of threads per proc
inline int num_threads() const { return _nthreads; }
/// My rank within all processes
inline int world_me() const { return _world_me; }
/// Total number of processes
@ -331,7 +329,7 @@ class Device {
MPI_Comm _comm_world, _comm_replica, _comm_gpu;
int _procs_per_gpu, _gpu_rank, _world_me, _world_size, _replica_me,
_replica_size;
int _gpu_mode, _first_device, _last_device, _platform_id, _nthreads;
int _gpu_mode, _first_device, _last_device, _platform_id;
double _particle_split;
double _cpu_full;
double _ptx_arch;