[gmx-users] Gromacs 4.0 installation problem

[Chavatte Philippe]

Hi,

We are trying to install gromacs 4.0 on our new SGI cluster running under
RHEL5.

The configure script run fine (./configure –prefix =/install-dir).

But an error occurs during the building (make) :



cc -DHAVE_CONFIG_H -I. -I../../src  -I../../include
-DGMXLIBDIR=\"/data1/soft/linux/gromacs-4.0/share/top\"
-I/data1/soft/linux/fftw-3.1.3/include  -O3 -fomit-frame-pointer
-finline-functions -Wall -Wno-unused -funroll-all-loops -MT grompp.o -MD
-MP -MF .deps/grompp.Tpo -c -o grompp.o grompp.c

mv -f .deps/grompp.Tpo .deps/grompp.Po

/bin/sh ../../libtool --tag=CC   --mode=link cc  -O3 -fomit-frame-pointer
-finline-functions -Wall -Wno-unused -funroll-all-loops 
-L/data1/soft/linux/fftw-3.1.3/lib   -o grompp grompp.o
libgmxpreprocess.la ../mdlib/libmd.la ../gmxlib/libgmx.la  -L/usr/lib64
-lnsl -lfftw3f -lm   -lX11

cc -O3 -fomit-frame-pointer -finline-functions -Wall -Wno-unused
-funroll-all-loops -o grompp grompp.o  -L/data1/soft/linux/fftw-3.1.3/lib
./.libs/libgmxpreprocess.a -L/usr/lib64 ../mdlib/.libs/libmd.a
../gmxlib/.libs/libgmx.a -lnsl
/data1/soft/linux/fftw-3.1.3/lib/libfftw3f.a -lm -lX11

/usr/bin/ld: cannot find -lX11

collect2: ld returned 1 exit status

make[3]: *** [grompp] Erreur 1

make[3]: quittant le répertoire «
/data1/soft/linux/gromacs-4.0s/src/kernel »

make[2]: *** [all-recursive] Erreur 1

make[2]: quittant le répertoire « /data1/soft/linux/gromacs-4.0s/src »

make[1]: *** [all] Erreur 2

make[1]: quittant le répertoire « /data1/soft/linux/gromacs-4.0s/src »

make: *** [all-recursive] Erreur 1



We have compiled gromacs 4.0 on a workstation under RHEL4 without problem.



Thank you for your help.



P. CHAVATTE



-----------------



Professeur Philippe CHAVATTE

Université Lille 2

Faculté des Sciences Pharmaceutiques et Biologiques

Laboratoire de Chimie Thérapeutique - EA1043

BP 83

59006 LILLE CEDEX

FRANCE



E-Mail : philippe.chavatte at univ-lille2.fr


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