Hi Team, Thanks for your reply.
I had tried following method to install gromacs-4.0.7 - $ module load intel_all/impi/default $ ./configure --enable-mpi --with-fft=fftw2 LDFLAGS="-L/sfs1/lib/sfftw-2.1.5/lib/" CPPFLAGS="-I/sfs1/lib/sfftw-2.1.5/include" LIBS="-lsfftw" F77=mpif77 --prefix=/sfs3/home/bharati/gromacs $ make $ make install Following the command to submit the job in queue: bsub -q normal4c -n 4 mpirun -srun /sfs3/home/bharati/gromacs/bin/mdrun -pd -v -s Ag6A12_equil.tpr -o Ag6A12_equil.trr -c Ag6A12_equil.gro -e Ag6A12_equil.edr -g Ag6A12_equil.log When I submit the job for more than one processors in queue, it gets terminated immediately without error. It is not creating any file etc.. Thanks & Regards, On Tue, May 3, 2011 at 2:40 PM, Saikat Banerjee <banskt.sai...@gmail.com>wrote: > Hi, > > Have you checked the error log? Please post the error log. > > Have you configured GROMACS using --enable-mpi? > > Thanks, > Saikat > > On Tue, May 3, 2011 at 2:35 PM, Bharati Singh <bharati0...@gmail.com>wrote: > >> Hi Team, >> >> I have LSF in my cluster ,I have installed gromacs-4.0.7 on Sampige. It is >> working fine as a serial(on 1 processor) ,when I submit the job for more >> than one processors in queue, it gets terminated immediately.Can you suggest >> me something about it, please >> >> Thanks & Regards, >> >> -- >> Bharati Singh >> System Administrator >> Centre for Computational Materials Science(CCMS) >> Jawaharlal Nehru Centre for Advanced Scientific Research(JNCASR), >> Bangalore - 560 064 >> India. >> mob. : 08970898515 >> Phone : +91 80 2208 2944 + Ext. 26 & 28 >> Fax : +91 80 2208 2906 >> Email : bharati_si...@jncasr.ac.in <a...@jncasr.ac.in> >> >> >> http://www.jncasr.ac.in/ccms >> http://www.jncasr.ac.in/ >> >> -- >> gmx-users mailing list gmx-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 >> > > > > -- > ------------------------------------------------------------------- > Saikat Banerjee > Integrated Ph.D student > Prof B. Bagchi's group > Room no. 210 > Solid State and Structural Chemistry Unit (SSCU) > Indian Institute of Science > Bangalore-560012 > > Ph: +91-80-22933305 (lab) > +91-80-23602338 (lab) > +91-9980228606 (mobile) > > Alternate e-mail: > sai...@sscu.iisc.ernet.in > ban...@yahoo.co.in > ------------------------------------------------------------------- > > -- > gmx-users mailing list gmx-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 > -- Bharati Singh System Administrator Centre for Computational Materials Science(CCMS) Jawaharlal Nehru Centre for Advanced Scientific Research(JNCASR), Bangalore - 560 064 India. mob. : 08970898515 Phone : +91 80 2208 2944 + Ext. 26 & 28 Fax : +91 80 2208 2906 Email : bharati_si...@jncasr.ac.in <a...@jncasr.ac.in> http://www.jncasr.ac.in/ccms http://www.jncasr.ac.in/
-- gmx-users mailing list gmx-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
