Mentioned method is working in another user's home directory on same machine, then I dont think the problem with linking.
On Tue, May 3, 2011 at 3:34 PM, Mark Abraham <mark.abromea...@anu.edu.au>wrote: > On 3/05/2011 7:37 PM, Bharati Singh wrote: > > 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.. > > > That set of commands should create mdrun_mpi. Why are you not using it? > > If this mdrun really is the one produced by the above configuration, the > symptoms suggest some kind of (dynamic) linking problem, but we have no way > to be more specific. It's not GROMACS-related. > > Mark > > > > 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 > -- 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/
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