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Kategorie/Name/Version (default)chem/lammps/16Feb16
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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-ischem/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'.
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Installationsdatum05.10.2017
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