On Apr 5, 2013, at 12:52 PM, Justin Lemkul <jalem...@vt.edu> wrote: > > > On 4/5/13 6:38 AM, Carsten Kutzner wrote: >> Hi Albert, >> >> one reason for the error you see could be that you are using a non-Intel >> MPI compiler wrapper. I think you need to specify MPICC=mpiicc as well. >> > > Is there any point in compiling FFTW in parallel? I have never once done it > nor found it necessary. Hi,
you are absolutely right, sorry I did not express that clearly. The thing is, if you compile the FFTW using the Intel compiler and then compile Gromacs using Intels mpicc or mpigcc compiler wrapper, you will get these undefined references to _intel* at link time. To make it work, you need to use the mpiicc (two i's here) compiler wrapper for Gromacs. Carsten > > -Justin > >> On Apr 5, 2013, at 12:25 PM, Albert <mailmd2...@gmail.com> wrote: >> >>> Hello: >>> >>> I am trying to compile gromacs with intel compiler. However, it failed when >>> I compile FFTW3 with command: >>> >>> >>> ./configure --enable-sse --enable-float --with-pic --enable-single >>> --enable-static --enable-mpi --prefix=/home/albert/install/fftw-3.3.3 >>> CC=icc CXX=icc F77=ifort >>> >>> here is the log file: >>> >>> mp.c:(.text+0x3148): undefined reference to `_intel_fast_memset' >>> ../libbench2/libbench2.a(mp.o):mp.c:(.text+0x3488): more undefined >>> references to `_intel_fast_memset' follow >>> collect2: ld returned 1 exit status >>> make[3]: *** [mpi-bench] Error 1 >>> make[3]: Leaving directory `/home/albert/install/00-source/fftw-3.3.3/mpi' >>> make[2]: *** [all] Error 2 >>> make[2]: Leaving directory `/home/albert/install/00-source/fftw-3.3.3/mpi' >>> make[1]: *** [all-recursive] Error 1 >>> make[1]: Leaving directory `/home/albert/install/00-source/fftw-3.3.3' >>> >>> >>> make: *** [all] Error 2 >>> >>> thank you very much >>> best >>> Albert >>> -- >>> 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 >> >> >> -- >> Dr. Carsten Kutzner >> Max Planck Institute for Biophysical Chemistry >> Theoretical and Computational Biophysics >> Am Fassberg 11, 37077 Goettingen, Germany >> Tel. +49-551-2012313, Fax: +49-551-2012302 >> http://www.mpibpc.mpg.de/grubmueller/kutzner >> http://www.mpibpc.mpg.de/grubmueller/sppexa >> > > -- > ======================================== > > Justin A. Lemkul, Ph.D. > Research Scientist > Department of Biochemistry > Virginia Tech > Blacksburg, VA > jalemkul[at]vt.edu | (540) 231-9080 > http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin > > ======================================== > -- > 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 -- Dr. Carsten Kutzner Max Planck Institute for Biophysical Chemistry Theoretical and Computational Biophysics Am Fassberg 11, 37077 Goettingen, Germany Tel. +49-551-2012313, Fax: +49-551-2012302 http://www.mpibpc.mpg.de/grubmueller/kutzner http://www.mpibpc.mpg.de/grubmueller/sppexa -- 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
