Dera gromacs users,
I am trying to do QMMM in the latest gromacs version :gromacs-4.5-beta2.
When I run DFT I got an error:
number of CPUs for gaussian = 1
memory for gaussian = 50000000
accuracy in l510 = 8
NOT using cp-mcscf in l1003
Level of SA at start = 0
Segmentation fault
Are you trying to use more than one thread?
Gerrit
Please could you advice me on this?
6. QMMM, Segmentation fault (Olga Ivchenko)
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