[gmx-users] Installation problem

itai bloch itaibloch at gmail.com
Wed Jun 1 17:16:05 CEST 2005


Hi all,

I'm having some trouble with installing gromacs-3.2.1 mpi version on
solaris 9 machine.

I have already installed the gromacs double precision on this machine
and it works fine! (is there a conflict when having both together?).

When I configure with

./configure --enable-mpi --enable-float --enable-shared

I get the error

"gmx_sgangle.c", line 397: non-constant initializer: op "U&"

When I set the compiler to gcc this compiles correctly.
gromacs usually compiles with mpich.

When I configure without --enable-shared
it does not build till the end.

I get this warning throughout the build process. (with both configurations)

*** Warning: Linking the shared library libgmx_mpi.la against the
*** static library /opt/SUNWspro/SC4.2/lib/libM77.a is not portable!


The configuration that does not complete finishes like this:

mpicc -I/usr/include/libxml2 -o grompp topio.o toppush.o topcat.o
topshake.o convparm.o tomorse.o sorting.o splitter.o dum_parm.o readir.o
add_par.o
topexcl.o toputil.o topdirs.o grompp.o  -L/usr/ucblib
../mdlib/.libs/libmd_mpi.a -L/opt/SUNWspro/lib -L/opt/SUNWspro/SC4.2/lib
-L/usr/ccs/lib -L/usr/lib -L/usr/openwin/lib ../gmxlib/.libs/libgmx_mpi.a
/opt/SUNWspro/SC4.2/lib/libM77.a -lF77 -lsunmath -lcx
/usr/local/fftw/2.1.5/lib/librfftw_mpi.a
/usr/local/fftw/2.1.5/lib/libfftw_mpi.a
/usr/local/fftw/2.1.5/lib/librfftw.a /usr/local/fftw/2.1.5/lib/libfftw.a
-lXm -lXt -lSM -lICE -lXext -lXp -lX11 -lxml2 -lz -lpthread -lm -lsocket
-lnsl -R/opt/SUNWspro/lib -R/usr/openwin/lib -R/usr/lib
ld: elf error: file ../gmxlib/.libs/libgmx_mpi.a: elf_begin: Format error:
archive fmag
ld: fatal: File processing errors. No output written to grompp
*** Error code 1
make: Fatal error: Command failed for target `grompp'
Current working directory /usr/local/src/gromacs-3.2.1/src/kernel
*** Error code 1
make: Fatal error: Command failed for target `all-recursive'
Current working directory /usr/local/src/gromacs-3.2.1/src
*** Error code 1
make: Fatal error: Command failed for target `all'
Current working directory /usr/local/src/gromacs-3.2.1/src
*** Error code 1
make: Fatal error: Command failed for target `all-recursive'

When I tried using the compiled version the run crushed after few
seconds (with some SIGBUS error in the 'run_name.job' file.

Please, is there anyone who can guide me with it???
Thanks,
Itai.



More information about the gromacs.org_gmx-users mailing list