[gmx-users] double precision and mpi
K.A. Feenstra
Feenstra at chem.vu.nl
Thu Jul 25 17:51:44 CEST 2002
Yuguang Mu wrote:
>
> Dear all,
> I compile the gromacs 3.1.4 using double precision and mpi .
> But I only can use it on one cpu, when I try it on 2 cpu , it crashes.
You would have to give us some more details. Which type of system
(hardware platform, CPU type, operating system & version) are you
using? What options did you select for configure? What is the
error message when mdrun crashes?
--
Groetjes,
Anton
________ ___________________________________________________________
| | Anton Feenstra |
| . | Dept. of Pharmacochemistry - Vrije Universiteit Amsterdam |
| |---- | De Boelelaan 1083 - 1081 HV Amsterdam - The Netherlands |
| |---- | Tel: +31 20 44 47608 - Fax: +31 20 44 47610 |
| ' __ | Feenstra at chem.vu.nl - http://www.chem.vu.nl/afdelingen/FAR|
| / \ |-----------------------------------------------------------|
| ( ) | Dept. of Biophysical Chemistry - University of Groningen |
| \__/ | Nijenborgh 4 - 9747 AG Groningen - The Netherlands |
| __ | Tel +31 50 363 4327 - Fax +31 50 363 4800 |
| / \ | K.A.Feenstra at chem.rug.nl - http://md.chem.rug.nl/~anton |
| ( ) |-----------------------------------------------------------|
| \__/ | "If You See Me Getting High, Knock Me Down" |
| | (Red Hot Chili Peppers) |
|________|___________________________________________________________|
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