[gmx-users] Failure in MD run without any error

2013-10-28 Thread niloofar niknam


 DearGromacs users
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%
busy.
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,
Niloofar

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Re: [gmx-users] Failure in MD run without any error

2013-10-28 Thread Mark Abraham
Hi,

Hard to know. LAM was discontinued over 4 years ago. You could have a flaky
file system. Unless you're trying to run a jobsover both machines over
network like Infiniband, you don't even want to use an external MPI library
- single-node performance with built-in thread-MPI will give much better
value.

Mark


On Mon, Oct 28, 2013 at 9:12 PM, niloofar niknam
niloofae_nik...@yahoo.comwrote:



  DearGromacs users
 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%
 busy.
 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,
 Niloofar

 --
 gmx-users mailing listgmx-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

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