From fb08b80d68ade4092a7277bf82cdfae4631d24fd Mon Sep 17 00:00:00 2001 From: Han Wang Date: Mon, 24 May 2021 20:02:49 +0800 Subject: [PATCH] Incorperate Yuzhis change to 4-GPU example (#412) Co-authored-by: Han Wang --- .../DeePMD-kit-1.0/machine-local-4GPU.json | 26 ++++++------------- 1 file changed, 8 insertions(+), 18 deletions(-) diff --git a/examples/machine/DeePMD-kit-1.0/machine-local-4GPU.json b/examples/machine/DeePMD-kit-1.0/machine-local-4GPU.json index 602913c72..3de59661f 100644 --- a/examples/machine/DeePMD-kit-1.0/machine-local-4GPU.json +++ b/examples/machine/DeePMD-kit-1.0/machine-local-4GPU.json @@ -16,8 +16,8 @@ "resources":{ "_comment" : "The number of nodes.", "numb_node": 1, - "_comment" : "The number of GPUs.", - "numb_gpu": 1, + "_comment" : "If you choose to run with multiple GPUs simultaneously, just ignore numb_gpu.", + "numb_gpu": 0, "_comment" : "The number of CPUs.", "task_per_node": 4, "_comment" : "The number of GPUs that can be used for each task.", @@ -26,16 +26,9 @@ "manual_cuda_multiplicity":1, "_comment" : "Allow the multi-GPU task running.", "cuda_multi_task": true, - "_comment" : "Partition.", - "partition": "gpu", - "_comment" : "Memory limit.", - "mem_limit": 64, - "_comment" : "None for local device", - "exclude_list": [], "module_list": [], - "source_list": ["/opt/intel/parallel_studio_xe_2020/psxevars.sh"], - "_comment" : "Time limit.", - "time_limit": "23:0:0" + "_comment" : "Environment to be activated. This will generate source xxx/psxevars.sh in scripts. ", + "source_list": ["/opt/intel/parallel_studio_xe_2020/psxevars.sh"] }, "_comment" : "DP-GEN will put 4 tasks together in one submitting script.", "group_size": 4 @@ -50,17 +43,13 @@ }, "resources": { "numb_node": 1, - "numb_gpu": 4, + "numb_gpu": 0, "task_per_node": 4, "manual_cuda_devices": 4, "manual_cuda_multiplicity":1, "cuda_multi_task": true, - "partition": "gpu", - "exclude_list": [], - "mem_limit": 64, "source_list": [], - "module_list": [], - "time_limit": "23:0:0" + "module_list": [] }, "command": "/home/user/Soft/Deepmd/lammps-stable_29Oct2020/src/lmp_mpi", "group_size": 4 @@ -80,7 +69,8 @@ "with_mpi": true, "_comment" : "Load the intel compiler.", "source_list": ["/opt/intel/parallel_studio_xe_2020/psxevars.sh"], - "envs": {"PATH" : "/home/user/Soft/VASP/vasp.5.4.4-allbak/bin:$PATH"} + "envs": {"PATH" : "/home/user/Soft/VASP/vasp.5.4.4-allbak/bin:$PATH"}, + "_comment" : "This will generate export PATH=/home/user/Soft/VASP/vasp.5.4.4-allbak/bin:$PATH in scripts;" }, "command": "vasp_std", "group_size": 1