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 _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
