Thanks everyone. For your quick reply and support. On Thu, Apr 21, 2016 at 10:37 PM, Justin Lemkul <jalem...@vt.edu> wrote:
> > > On 4/21/16 9:35 AM, Sotirios Dionysios I. Papadatos wrote: > >> Hi, in my case gmx is only needed for certain commands. For example >> pdb2gmx is working if I use it solo, not with gmx. It's worth a shot. >> >> > This is true for versions in the 5.0.x series; they can be called via gmx > or through the old syntax without it because the commands are all installed > as links to gmx. In 5.1.x this will not work; gmx/gmx_mpi (depending on > the installation) is mandatory. > > -Justin > > > ________________________________________ >> From: gromacs.org_gmx-users-boun...@maillist.sys.kth.se < >> gromacs.org_gmx-users-boun...@maillist.sys.kth.se> on behalf of Email >> Gmail Pribadi <hus...@gmail.com> >> Sent: Thursday, April 21, 2016 9:18 AM >> To: gmx-us...@gromacs.org >> Subject: Re: [gmx-users] Installation Problem... No command 'gmx' found >> >> Hi, >> >> Try gmx [command] . Ex. gmx mdrun -option >> >> Regards, >> >> >> Husen >> >> On 21 Apr 2016, at 12.31, terrence...@gmail.com wrote: >>> >>> Hi, >>> >>> Try gmx_mpi. >>> >>> Regards >>> Terry >>> >>> >>> On 21 Apr 2016, at 12:11 PM, Md. Imrul Reza Shishir < >>>> imrul.reza.shis...@gmail.com> wrote: >>>> >>>> Dear all user >>>> >>>> I install gromacs in my laptop its perfectly ok. But i have problem to >>>> install in my desktop there i face problem. >>>> In my desktop i want to compile with cuda accelerator and MPI option. I >>>> install successfully openmpi-1.10.2 and cuda-7.5 with nvidia driver. all >>>> this driver is ok. >>>> >>>> For gromacs i run this installation command. >>>> >>>> tar -xzvf gromacs-5.1.2.tar.gz >>>> cd gromacs-5.1.2.tar.gz >>>> mkdir build >>>> cd build >>>> CMAKE <gromacs-5.1.2 file location > -DGMX_BUILD_OWN_FFTW=on >>>> -DGMX_GPU=on >>>> -DGMX_MPI=on -DREGRESSIONTEST_DOWNLOAD=on >>>> make -j16 >>>> make check >>>> sudo make install -j16 >>>> >>>> source /usr/local/gromacs/bin/GMXRC >>>> >>>> In the installation procedure i dont find any error. All 26 test >>>> completed >>>> without error. >>>> >>>> But when i try to run "gmx or gmx help" >>>> >>>> There is error no command gmx found. I need your guidance. >>>> >>>> Best Regards >>>> >>>> -- >>>> *Md Imrul Reza Shishir* >>>> -- >>>> Gromacs Users mailing list >>>> >>>> * Please search the archive at >>>> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before >>>> posting! >>>> >>>> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >>>> >>>> * For (un)subscribe requests visit >>>> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or >>>> send a mail to gmx-users-requ...@gromacs.org. >>>> >>> -- >>> Gromacs Users mailing list >>> >>> * Please search the archive at >>> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before >>> posting! >>> >>> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >>> >>> * For (un)subscribe requests visit >>> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or >>> send a mail to gmx-users-requ...@gromacs.org. >>> >> -- >> Gromacs Users mailing list >> >> * Please search the archive at >> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before >> posting! >> >> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >> >> * For (un)subscribe requests visit >> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or >> send a mail to gmx-users-requ...@gromacs.org. >> >> > -- > ================================================== > > Justin A. Lemkul, Ph.D. > Ruth L. Kirschstein NRSA Postdoctoral Fellow > > Department of Pharmaceutical Sciences > School of Pharmacy > Health Sciences Facility II, Room 629 > University of Maryland, Baltimore > 20 Penn St. > Baltimore, MD 21201 > > jalem...@outerbanks.umaryland.edu | (410) 706-7441 > http://mackerell.umaryland.edu/~jalemkul > > ================================================== > > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before > posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > send a mail to gmx-users-requ...@gromacs.org. > -- *Md Imrul Reza Shishir* Master Student *Inha University* *CRC for NanoCellulose Future Composites* 36 Getbeol-ro, Yeonsu-gu Incheon 21999 South Korea -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.