Differences

This shows you the differences between two versions of the page.

--- cluster:223 [2023/09/07 20:03] – hmeij07
+++ cluster:223 [2023/09/18 20:56] (current) – hmeij07
@@ Line 116: / Line 116: @@
-==== Test ====
-Script ~hmeij/slurm/run.centos, cuda 11.2, pmemd.cuda of local install of amber20 with
-  * #SBATCH -N 1
-  * #SBATCH -n 1
-  * #SBATCH -B 1:1:1
-  * #SBATCH --mem-per-gpu=7168
-For some reason this yields cpus=8 which is different behavior (expected cpu=1). Slurm is overriding the above settings with partition setting of DefCpuPerGPU=8. Slurm has not changed but cuda version has. Odd.
-<code>
-# from slurmd.log
-[2023-09-05T14:51:00.691] Gres Name=gpu Type=tesla_k20m Count=4
-JOBID   PARTITION         NAME          USER  ST          TIME NODES  CPUS    MIN_MEMORY NODELIST(REASON)
-1053052 mwgpu             test         hmeij   R          0:09     1     8             0              n33
-[hmeij@cottontail2 slurm]$ ssh n33 gpu-info
-id,name,temp.gpu,mem.used,mem.free,util.gpu,util.mem
-, Tesla K20m, 36, 95 MiB, 4648 MiB, 100 %, 25 %
-, Tesla K20m, 26, 0 MiB, 4743 MiB, 0 %, 0 %
-, Tesla K20m, 25, 0 MiB, 4743 MiB, 0 %, 0 %
-, Tesla K20m, 26, 0 MiB, 4743 MiB, 0 %, 0 %
-[hmeij@cottontail2 slurm]$ ssh n33 gpu-process
-gpu_name, gpu_id, pid, process_name
-Tesla K20m, 0, 28394, pmemd.cuda
-</code>
 ==== Testing ====
@@ Line 267: / Line 236: @@
 List of command line options supported by this LAMMPS executable:
+<snip>
+# hmmm, using -suffix gpu it does not jump on gpus, generic non-gpu libthread error
+# same version rocky8/cuda-11.6 works, centos7/cuda-10.2 works, all "make" compiles
+# try "cmake" compile on n33-n36
+# libspace tarball download fails on file hash and
+# yields a  status: [1;"Unsupported protocol"]  error for ML-PACE
+# without ML-SPACE hash fails for opencl-loarder third partty, bad url
+# https://download.lammps.org/thirdparty/opencl-loader-opencl-loadewer-version...tgz
+# then extract in _deps/ dir
+# and added -D GPU_LIBRARY=../lib/gpu/libgpu.a ala QUIP_LIBRARY
+# that works, cmake compile binary jumps on multiple gpus
+[hmeij@n35 sharptail]$ mpirun -n 2 \
+/share/apps/CENTOS7/lammps/25Apr2023/cuda-11.2/cmake/single-single/lmp \
+-suffix gpu -in in.colloid
+[root@greentail52 ~]# ssh n35 gpu-process
+gpu_name, gpu_id, pid, process_name
+Tesla K20m, 0, 9911, /share/apps/CENTOS7/lammps/25Apr2023/cuda-11.2/cmake/single-single/lmp
+Tesla K20m, 1, 9912, /share/apps/CENTOS7/lammps/25Apr2023/cuda-11.2/cmake/single-single/lmp
+# some stats, colloid example
+cpu, 1 gpu
+Total wall time: 0:05:49
+cpus, 2 gpus
+Total wall time: 0:03:58
+cpus, 4 gpus
+Total wall time: 0:02:23
+cpus, 4 gpus
+Total wall time: 0:02:23
+# but the ML-PACE hash  error is different, so no go there
 </code>