[gmx-users] Failure in MD run without any error
niloofae_niknam at yahoo.com
Mon Oct 28 21:12:06 CET 2013
I have encountered something strange. I have installed Red
Hat Enterprise Linux 6.1 & 6.2 on two machines recently and then lam 7.1.4,
fftw 3.3.2 and Gromacs 4.5.5 .
During linux installation, everything went well I didn`t
face any complain or receiving any error, as well as in lam, fftw and Gromacs
installation, But when I run an MD job on both of these machines, at first
everything seems normal but after some steps ( usually multi thousands steps), the
job doesn`t proceed. Log file does not show any change or there is no error.
Obviously the job is stopped while terminal shows all the processors are 100%
I have also reinstalled the linux and the mentioned programs
too but it did not solve the problem. I don`t have any idea what the problem
is. Any comment or suggestion would be highly appreciated.
Thanks in advance,
More information about the gromacs.org_gmx-users