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Kategorie/Name/Version (default) | chem/lammps/16Feb16 |
Cluster | bwUniCluster (für ALLE verfügbar!) |
Nachricht/Übersicht | |
Konflikte Preregs =Abhängigkeiten | conflict chem/lammps
prereq numlib/mkl/11.2.3
prereq compiler/intel/15.0
prereq mpi/openmpi/1.10-intel-15.0 |
Lizenz | |
URL | |
What-is | chem/lammps/16Feb16 : A molecular dynamics program (version 16Feb16) |
Hilfe-Text | Category: chemistry/molecular dynamics program
Version: 16Feb16
License: GPL
Command: lmp_serial_icc (mpi+omp) lmp_ompi_icc (mpi version)
Documentation: $LAMMPS_DOC_DIR (/opt/bwhpc/common/chem/lammps/16Feb16-mkl-11.2.32-openmpi-1.10-intel-15.0/doc)
http://lammps.sandia.gov/doc/Manual.html
http://lammps.sandia.gov/FAQ.html
Citing: http://lammps.sandia.gov/doc/Section_intro.html#intro_5
Examples: $LAMMPS_EXA_DIR (/opt/bwhpc/common/chem/lammps/16Feb16-mkl-11.2.32-openmpi-1.10-intel-15.0/examples)
See README in example directory for details
This module uses libraries from the Intel compiler (compiler/intel)
and openmpi mpi/openmpi). kim-api-v1.7.2 is included in this module.
Openmp threading in addition to openmpi is enabled in the lammps mpi binary.
The variables and commands are available after loading 'chem/lammps/16Feb16'. |
Support | bwHPC Support-Portal
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Installationsdatum | 05.10.2017 |
Löschdatum | |
Best-Practice-Wiki | |