[gmx-users] Gromacs 4.0 and threads

David van der Spoel spoel at xray.bmc.uu.se
Fri Oct 17 23:34:43 CEST 2008

Ricardo Rios wrote:
> Hi folks,
> I have a question that has already been discussed before about other versions.
> I would like to know if Gromacs 4.0 has a multi-thread implementation.
> I downloaded and compiled this release with the commands:
> $ ./configure --enable-threads
> $ make
> # make install
> However, when i perform the command mdrun with option '-nt' is shown
> the next message:
> Fatal error:
> GROMACS compiled without threads support - can only use one thread

There is no thread support. Sorry.
> Regards,
> Ricardo Rios
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David van der Spoel, Ph.D., Professor of Biology
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se

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