Roland, I have now run the regression test on my installation and it all fails for runmd (segmentation fault). Don't see that anything else is being tested.
I've placed the output of the make check (Make_check.out) at https://www.dropbox.com/sh/h6867f7ivl5pcl9/j9gt9CsVdP I'll copy the first part here to give you a taste of it: ------------------------------------------------------------------------------- [softwaremgmt@warp2-login build]$ more make_check.out [ 64%] Built target gmx [ 64%] Built target gmxfftw [ 76%] Built target md [ 92%] Built target gmxana [ 92%] Built target editconf [ 97%] Built target gmxpreprocess [ 97%] Built target grompp [ 98%] Built target pdb2gmx [ 98%] Built target gmxcheck [100%] Built target mdrun [100%] Built target gmxtests Test project /shared/software/temp/gromacs-4.6.1/build Start 1: regressiontests/simple 1/5 Test #1: regressiontests/simple ...........***Failed 0.83 sec sh: line 1: 11622 Segmentation fault mdrun -notunepme -table ../table -tabl ep ../tablep > mdrun.out 2>&1 Abnormal return value for ' mdrun -notunepme -table ../table -tablep ../table p >mdrun.out 2>&1' was 139 No mdrun output files. FAILED. Check mdrun.out, md.log files in angles1 sh: line 1: 11628 Segmentation fault mdrun -notunepme -table ../table -tabl ep ../tablep > mdrun.out 2>&1 Abnormal return value for ' mdrun -notunepme -table ../table -tablep ../table p >mdrun.out 2>&1' was 139 No mdrun output files. FAILED. Check mdrun.out, md.log files in angles125 sh: line 1: 11637 Segmentation fault mdrun -notunepme -table ../table -tabl ep ../tablep -pd > mdrun.out 2>&1 Abnormal return value for ' mdrun -notunepme -table ../table -tablep ../table p -pd >mdrun.out 2>&1' was 139 No mdrun output files. FAILED. Check mdrun.out, md.log files in bham ... 0% tests passed, 5 tests failed out of 5 Total Test time (real) = 29.58 sec The following tests FAILED: 1 - regressiontests/simple (Failed) 2 - regressiontests/complex (Failed) 3 - regressiontests/kernel (Failed) 4 - regressiontests/freeenergy (Failed) 5 - regressiontests/pdb2gmx (Failed) -------------------------------------------------------------------------------------------- Amil -- View this message in context: http://gromacs.5086.x6.nabble.com/mdrun-segmentation-fault-for-new-build-of-gromacs-4-6-1-tp5008873p5008902.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com. -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
