Dear all,
I have installed AMBER12 a little while ago, with gnu compilers gcc 4.1.2
and gfortran 4.1.2 (on a cluster running Rocks 5.3, equivalent to Red Hat
4.1.2-50).
I would like to try out AMBER/Gaussian, and we have g09 as well as g03.
I run into problems when running the tests in
$AMBERHOME/test/qmmm_EXTERN/QMMM_MD_GAUSSIAN.
According to the mdout, Gaussian is found (in this case g09), but sander
fails with the following:
SANDER BOMB in subroutine read_results (qm2_extern_gau_module)
Error reading file fort.7
Will quit now
gau_job.log is present and shows that Gaussian has successfully finished.
The fort.7 file in the directory is empty, so it is not a surprise that the
job fails.
But I don't know how to proceed to fix this. Any help is appreciated!
BTW, the same error occurs when using g03 and in the pure_QM_MD_GAUSSIAN/
tests.
Many thanks,
Marc
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Received on Mon May 14 2012 - 01:00:04 PDT
