Bert wrote:
Dear gmx-users,
I have done a test using test suit 4.0.4, and I got some failures as follows.
All 16 simple tests PASSED
FAILED. Check files in aminoacids
FAILED. Check files in field
FAILED. Check files in tip4p
FAILED. Check files in water
Those fail frequently on normal installations because they are
susceptible to differences in the virial.
4 out of 14 complex tests FAILED
FAILED. Check files in kernel020
FAILED. Check files in kernel120
FAILED. Check files in kernel121
FAILED. Check files in kernel122
FAILED. Check files in kernel123
FAILED. Check files in kernel124
FAILED. Check files in kernel220
FAILED. Check files in kernel221
FAILED. Check files in kernel222
FAILED. Check files in kernel223
FAILED. Check files in kernel224
FAILED. Check files in kernel320
FAILED. Check files in kernel321
FAILED. Check files in kernel322
FAILED. Check files in kernel323
FAILED. Check files in kernel324
16 out of 63 kernel tests FAILED
These are caused by a known bug in GROMACS.
All 45 pdb2gmx tests PASSED
My gcc version is 4.1.1, and both gmx 4.0.4 and 4.0.5 get exactly the
same failures on my Xeon 8 core based linux. For example, in
/kernel/kernel020
You'll probably be fine if you either upgrade your gcc version or learn
that your particular 4.1.x series compiler has its bugs fixed.
Mark
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