[gmx-users] A Question About gmxtest

Reza Salari resal81 at yahoo.com
Fri Mar 6 21:08:18 CET 2009

Hi everyone!

Thanks to GROMACS developers, version 4.0.4 has been released along with gmxtest 4.0.4. However, I have encountered some problems in passing all tests. I have installed GROMACS on different machines (64 bit AMD and Intel quad cores) using diffrent configure flags (based on instructions in the INSTALL file) and used fftw3 with double and float types, but still tests always fail in COMPLEX (field, tip4p, water) and KERNEL (~16 tests) on all machines. I looked into the test output files and noticed that those failed kernel tests almost always failed in the first step [I think that the test output files only include the steps that failed].

I don't know how much I must be worried about the test results. Has anybody been able to successfully run all tests on a x86_64 machine? If so, could you point out where I could have possibly gone wrong?

Thank you in advance,
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