[gmx-users] Double precision test failure

David van der Spoel spoel at xray.bmc.uu.se
Thu Nov 29 19:29:57 CET 2007

Chris Snook wrote:
> I am trying to use gromacs on a Mac OS X 10.4.11 with an Intel 2.16GHz Core 2
> Duo processor.
> I have downloaded and installed the v 3.3.2 binaries of gromacs for this OS and
> run the test program. The single precision tests run OK. But the double
> precision tests completely fail with the following output (partial):
> No topol.tpr file in angles1. grompp failed
> FAILED. Check files in angles1
> No topol.tpr file in angles125. grompp failed
> FAILED. Check files in angles125
> No topol.tpr file in bham. grompp failed
> FAILED. Check files in bham
> etc
> No topol.tpr file in kernel334. grompp failed
> FAILED. Check files in kernel334
> 63 out of 63 kernel tests FAILED
> readline() on closed filehandle PIPE at ./gmxtest.pl line 353.
> etc
> I've checked the archives and the manual and haven't seen anything relevant to
> this. Any help would be appreciated.

did you source GMXRC?
> Regards
> Chris
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David van der Spoel, Ph.D.
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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