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cluster:73 [2020/07/15 20:22]
hmeij07 [LAMMPS CPU/GPU]
cluster:73 [2020/07/24 17:52]
hmeij07 [Gromacs]
Line 944: Line 944:
 ====== Gromacs ===== ====== Gromacs =====
  
-Gromacs-2018 for GPU (RTX2080)+Gromacs-2020.3 for GPU (RTX2080S) 
 +  * ''exx96'' queue 
 +  * see /share/apps/CENTOS7/gromacs/2020.3.install for env 
 + 
 +Gromacs-2018 for GPU (RTX2080S)
   * ''exx96'' queue   * ''exx96'' queue
   * **/zfshomes/hmeij/k20redo/run.rtx sample script**   * **/zfshomes/hmeij/k20redo/run.rtx sample script**
Line 1252: Line 1256:
 ** CPU ONLY v2 CentOS7 ** ** CPU ONLY v2 CentOS7 **
  
-  * add user-opm on next compile ...+  * add user-opm on next compile ... done ... binaries with string +user-omp
   * /share/apps/CENTOS7/lammps/3Mar2020   * /share/apps/CENTOS7/lammps/3Mar2020
     * lmp_serial, lmp_mpi     * lmp_serial, lmp_mpi
Line 1276: Line 1280:
  
 ** CPU or GPU ** ** CPU or GPU **
 +
 +  * added lmp_mpi-single-single+user-omp
  
   * /share/apps/CENTOS7/lammps/3Mar2020   * /share/apps/CENTOS7/lammps/3Mar2020
cluster/73.txt · Last modified: 2024/05/15 12:58 by hmeij07