Hello, everyone! I try to install gromacs 3.3.1 with threads enabled. But it fails and gives the following info:
... /opt/mpich/bin/mpicc -O3 -fomit-frame-pointer -finline-functions -Wall -Wno-unused -funroll-all-loops -o grompp topio.o toppush.o topcat.o topshake.o convparm.o tomorse.o sorting.o splitter.o vsite_parm.o readir.o add_par.o topexcl.o toputil.o topdirs.o grompp.o -L/opt/fftw3/lib ../mdlib/.libs/libmd_mpi.a ../gmxlib/.libs/libgmx_mpi.a -lnsl /opt/fftw3/lib/libfftw3f.a -lm ../gmxlib/.libs/libgmx_mpi.a(nb_kernel222_c.o)(.text+0x15d): In function `nb_kernel222': : undefined reference to `gmx_thread_mutex_lock' ../gmxlib/.libs/libgmx_mpi.a(nb_kernel222_c.o)(.text+0x1b0): In function `nb_kernel222': : undefined reference to `gmx_thread_mutex_unlock' ... My configuration is: export MPICC=/opt/mpich2/bin/mpicc ./configure --prefix=/opt/gmx --enable-float --without-x --enable-threads --with-fft=fftw3 --enable-mpi CPPFLAGS=-I/opt/fftw3/include LDFLAGS=-L/opt/fftw3/lib When "--enable-threads" is omited,the compilation seems to be fine but "mdrun" can not run in parallel. Other softwares related: Linux 2.6.9, MPICH 1.2.7, FFTW 3.1.2. Any suggestion would be appreciated. Thank you in advance. Sincerely yours, Ying Ren 2008-02-10 ---------------------------------------- State Key Laboratory of Multi-Phase Complex System Institute of Process Engineering (IPE) Chinese Academy of Sciences (CAS) P.O.Box 353, Beijing 100080, P.R. China Tel: +86-10-8262 3713 ext.804 Fax: +86-10-6255 8065 Email: [EMAIL PROTECTED] WWW: http://ipe.ac.cn/csms ---------------------------------------- _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
