[gmx-users] Re: mdrun segmentation fault for new build of gromacs 4.6.1

[Amil Anderson]

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 at 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





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