Zitat von "Jagan Mohan" <[EMAIL PROTECTED]>:
Hello,
Just wanted to know if GROMACS 3.3.3 supports multi threading that is can
run four instances of mdrun in the same machine which has 4 cores...
You can run GROMACS in parallel with MPI, which is much more
efficient. Any decent distribution has OpenMPI packages, in
RHEL/Fedora install the packages openmpi{,-libs,-devel} and configure
GROMACS with the MPI switch.
--
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Jussi Lehtola, FM, Tohtorikoulutettava
Fysiikan laitos, Helsingin Yliopisto
[EMAIL PROTECTED], p. 191 50632
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Mr. Jussi Lehtola, M. Sc., Doctoral Student
Department of Physics, University of Helsinki, Finland
[EMAIL PROTECTED]
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