Warning: Undefined array key "DOKU_PREFS" in /usr/share/dokuwiki/inc/common.php on line 2082
cluster:73 [DokuWiki]

User Tools

Site Tools


cluster:73

Differences

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

Link to this comparison view

Both sides previous revision Previous revision
Next revision Both sides next revision
cluster:73 [2020/03/06 07:53]
hmeij07 [Deep Learning Software Stack]
cluster:73 [2020/03/30 14:28]
hmeij07 [Amber]
Line 2058: Line 2058:
  
 ====== Amber ======  ====== Amber ====== 
 +
 +** AMBER 18 **
 +
 +  * compiled on ''n33'' with a ''/usr/local/n37-cuda-9.2'' soft link
 +  * view compile steps at /share/apps/CENTOS7/amber/amber18.install
 +  * when submitting on ''exx96'' we're mixing 
 +    * 10.2 cuda drivers
 +    * 9.2 toolkits
 +  * some speed results below K20 vs RTX2080s, Amber 16 vs 18
 +  * sample jobs at ~hmeij/k20redo/run.amber[16|18]
 +
 +
 +<code>
 +
 +# compiled on n33
 +[hmeij@n33 amber18]$ ls -l bin/pmemd*
 +-rwxr-xr-x 1 hmeij its  3549803 Mar 30 10:19 bin/pmemd
 +lrwxrwxrwx 1 hmeij its       15 Mar 30 11:57 bin/pmemd.cuda -> pmemd.cuda_SPFP
 +-rwxr-xr-x 1 hmeij its 93895208 Mar 30 12:11 bin/pmemd.cuda_DPFP
 +-rwxr-xr-x 1 hmeij its 94734272 Mar 30 13:07 bin/pmemd.cuda_DPFP.MPI
 +lrwxrwxrwx 1 hmeij its       19 Mar 30 12:51 bin/pmemd.cuda.MPI -> pmemd.cuda_SPFP.MPI
 +-rwxr-xr-x 1 hmeij its 75579744 Mar 30 11:57 bin/pmemd.cuda_SPFP
 +-rwxr-xr-x 1 hmeij its 76418760 Mar 30 12:51 bin/pmemd.cuda_SPFP.MPI
 +-rwxr-xr-x 1 hmeij its  4304392 Mar 30 11:23 bin/pmemd.MPI
 +
 +# some quick results
 +|     Average timings for all steps:
 +
 +~hmeij/k20redo/run.amber18 - mwgpu - K20
 +|         ns/day =       2.84   seconds/ns =   30385.24
 +~hmeij/k20redo/run.amber18 - exx96 - RTX2080S
 +|         ns/day =      11.66   seconds/ns =    7408.08
 +~hmeij/k20redo/run.amber16 - exx96 - RTX2080S
 +|         ns/day =       7.09   seconds/ns =   12185.91
 +
 +
 +</code>
  
 **AMBER 16** **AMBER 16**
cluster/73.txt ยท Last modified: 2024/05/15 08:58 by hmeij07