[gmx-users] Where is gmxtest gmxtest-3.3.3...

Kent F. Milfeld milfeld at tacc.utexas.edu
Mon Jul 7 19:53:33 CEST 2008

  I've built and installed gromacs-3.3.3.  At the end of the install, it suggests that I "make tests".
  I do this, and find out that I need to install gmxtest.  At the Gromacs site, under downloads, I see only the gmxtest-3.3.2.tgz file (under the "Test Set" menu item).
  When I try using it, it becomes apparent(?) that the 3.3.2 tests are not set up to work with gromacs-3.3.3.  It fails with the error:

No topol.tpr file in angles1. grompp failed  (and others).

A search through the gmxtest-3.3.2 (directory and tar) shows no topol.tpr file.
Google shows a reference to gmxtest-3.3.3.tgz in the wiki.gromacs.org:

Test-set - wiki.gromacs.org<http://wiki.gromacs.org/index.php/Test-set>
- 2 visits - 12:22pm
gmxtest-3.3.2.tgz * gmxtest-3.3.3.tgz. You can also get the test through the CVS interface. See the CVS_Howto for more information. Then: cvs co gmxtest ...

But I cannot get into the wiki.gromacs.org site.

1.) Is the wiki.gromacs.org site down, moved or removed?
2.) Does anybody know the link to gmxtest-3.3.3.tgz?

Would it be reasonable to include the test set with the gromacs distribution tar?  (I guess they are separated because of the large size for the tests, 8MB?)


Kent Milfeld
Texas Advanced Computing Center (TACC), www.tacc.utexas.edu<http://www.tacc.utexas.edu>
The University of Texas -- What Starts Here Changes The World
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