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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