[gmx-users] tests for gmx 4.5

2010-07-31 Thread Alan
Is there a proper set of tests for gmx 4.5 because neither ftp://ftp.gromacs.org/pub/tests/gmxtest-4.0.4.tgz or "git clone git:// git.gromacs.org/regressiontests.git" is working due to the several modifications done in gmx 4.5 including automatic thread for mdrun (I am using a Mac with dual core) a

Re: [gmx-users] tests for gmx 4.5

2010-08-04 Thread Rossen Apostolov
Hi, The tests haven't been ported to 4.5 yet but I hope to fix that before the final release. Rossen On 7/31/10 7:08 PM, Alan wrote: Is there a proper set of tests for gmx 4.5 because neither ftp://ftp.gromacs.org/pub/tests/gmxtest-4.0.4.tgz or "git clone git://git.gromacs.org/regressionte

Re: [gmx-users] tests for gmx 4.5

2010-08-04 Thread Mark Abraham
and not release. Thoughts? Mark - Original Message - From: Rossen Apostolov Date: Wednesday, August 4, 2010 17:56 Subject: Re: [gmx-users] tests for gmx 4.5 To: gmx-users@gromacs.org --- | > Hi, > >

Re: [gmx-users] tests for gmx 4.5

2010-08-09 Thread Rossen Apostolov
a hypothetical GROMACS 3.3.4 that is useful for making test set reference calculations, should we make such a release? Alternatively, we can just announce that the reference data was generated by the 3-3-version with a given git hash and not release. Thoughts? Mark ----- Original Message

Re: [gmx-users] tests for gmx 4.5

2010-08-09 Thread Rossen Apostolov
t the reference data was generated by the 3-3-version with a given git hash and not release. Thoughts? Mark - Original Message - From: Rossen Apostolov Date: Wednesday, August 4, 2010 17:56 Subject: Re: [gmx-users] tests for gmx 4.5 To: gmx-users@gromacs.org > Hi, > > The tests haven&#x