[gmx-users] Run test in parallel

ikedaike ikedaike at gmail.com
Thu Aug 7 03:37:06 CEST 2008


Hi

I built GROMACS-3.3.3 with GCC-3.4.6 and OpenMPI-1.2.5 on CentOS
4.5(Intel Core2 Duo).
I tested with gmxtest-3.3.3 and all tests passed in non-parallel.
However, when I tested in parallel, I encountered the following messages.

[Use 2 Cores]
% ./gmxtest.pl -np 2 all
Will test on 2 processors
All 16 simple tests PASSED
FAILED. Check files in dec+water
1 out of 14 complex tests FAILED
All 63 kernel tests PASSED
Error not all 45 pdb2gmx tests have been done successfully
Only 0 energies in the log file

Can I ignore above messages about the pdb2gmx test?

[Use 8 Cores]
% ./gmxtest.pl -np 8 all
Will test on 8 processors
FAILED. Check files in angles1
FAILED. Check files in angles125
FAILED. Check files in bham
FAILED. Check files in bonds1
FAILED. Check files in bonds125
FAILED. Check files in dih1
FAILED. Check files in dih125
FAILED. Check files in g96angles1
FAILED. Check files in g96angles125
FAILED. Check files in g96bonds1
FAILED. Check files in g96bonds125
FAILED. Check files in imp1
FAILED. Check files in imp36
FAILED. Check files in morse
FAILED. Check files in rb1
FAILED. Check files in rb125
16 out of 16 simple tests FAILED
FAILED. Check files in acetonitrilRF
FAILED. Check files in aminoacids
FAILED. Check files in argon
FAILED. Check files in butane
FAILED. Check files in dec+water
FAILED. Check files in ethyleenglycol
No topol.tpr file in fe_test. grompp failed
FAILED. Check files in fe_test
FAILED. Check files in field
FAILED. Check files in nacl
FAILED. Check files in sw
FAILED. Check files in tip4p
FAILED. Check files in tip4pflex
FAILED. Check files in urea
FAILED. Check files in water
14 out of 14 complex tests FAILED
FAILED. Check files in kernel010
FAILED. Check files in kernel020
FAILED. Check files in kernel030
FAILED. Check files in kernel100
FAILED. Check files in kernel101
FAILED. Check files in kernel102
FAILED. Check files in kernel103
FAILED. Check files in kernel104
FAILED. Check files in kernel110
FAILED. Check files in kernel111
FAILED. Check files in kernel112
FAILED. Check files in kernel113
FAILED. Check files in kernel114
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 kernel130
FAILED. Check files in kernel131
FAILED. Check files in kernel132
FAILED. Check files in kernel133
FAILED. Check files in kernel134
FAILED. Check files in kernel200
FAILED. Check files in kernel201
FAILED. Check files in kernel202
FAILED. Check files in kernel203
FAILED. Check files in kernel204
FAILED. Check files in kernel210
FAILED. Check files in kernel211
FAILED. Check files in kernel212
FAILED. Check files in kernel213
FAILED. Check files in kernel214
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 kernel230
FAILED. Check files in kernel231
FAILED. Check files in kernel232
FAILED. Check files in kernel233
FAILED. Check files in kernel234
FAILED. Check files in kernel300
FAILED. Check files in kernel301
FAILED. Check files in kernel302
FAILED. Check files in kernel303
FAILED. Check files in kernel304
FAILED. Check files in kernel310
FAILED. Check files in kernel311
FAILED. Check files in kernel312
FAILED. Check files in kernel313
FAILED. Check files in kernel314
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
FAILED. Check files in kernel330
FAILED. Check files in kernel331
FAILED. Check files in kernel332
FAILED. Check files in kernel333
FAILED. Check files in kernel334
63 out of 63 kernel tests FAILED
Error not all 45 pdb2gmx tests have been done successfully
Only 0 energies in the log file

I don't know why the all tests failed.
Could you please give the information about test in parallel ?

Thank you in advance.

Teru



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