[gmx-users] mdrun doesn't run in version 4.0 on sgi server

[Mark Abraham]

Lee Soin wrote:
> I try to compile GROMACS with a combination of icc and ifort. Error 
> occurs. These are the last lines of the compilation message:
> Making install in gmx_blas
> make[3]: Entering directory 
> `/disk2/junwang/soft/src/gromacs-4.0/src/gmxlib/gmx_blas'
> make[4]: Entering directory 
> `/disk2/junwang/soft/src/gromacs-4.0/src/gmxlib/gmx_blas'
> make[4]: Nothing to be done for `install-exec-am'.
> make[4]: Nothing to be done for `install-data-am'.
> make[4]: Leaving directory 
> `/disk2/junwang/soft/src/gromacs-4.0/src/gmxlib/gmx_blas'
> make[3]: Leaving directory 
> `/disk2/junwang/soft/src/gromacs-4.0/src/gmxlib/gmx_blas'
> Making install in gmx_lapack
> make[3]: Entering directory 
> `/disk2/junwang/soft/src/gromacs-4.0/src/gmxlib/gmx_lapack'
> make[4]: Entering directory 
> `/disk2/junwang/soft/src/gromacs-4.0/src/gmxlib/gmx_lapack'
> make[4]: Nothing to be done for `install-exec-am'.
> make[4]: Nothing to be done for `install-data-am'.
> make[4]: Leaving directory 
> `/disk2/junwang/soft/src/gromacs-4.0/src/gmxlib/gmx_lapack'
> make[3]: Leaving directory 
> `/disk2/junwang/soft/src/gromacs-4.0/src/gmxlib/gmx_lapack'
> make[3]: Entering directory `/disk2/junwang/soft/src/gromacs-4.0/src/gmxlib'
> /bin/sh ../../libtool --tag=CC   --mode=compile 
> /disk2/junwang/soft/intel/cc/10.1.018/bin/icc -DHAVE_CONFIG_H -I. 
> -I../../src -I/usr/X11R6/include -I/usr/include/libxml2 -I../../include 
> -DGMXLIBDIR=\"/disk2/junwang/soft/gromacs4/share/top\" 
> -I/disk2/junwang/soft/fftw32_mpi/include  -O3 -w -funroll-all-loops -MT 
> libxdrf.lo -MD -MP -MF .deps/libxdrf.Tpo -c -o libxdrf.lo libxdrf.c
>  /disk2/junwang/soft/intel/cc/10.1.018/bin/icc -DHAVE_CONFIG_H -I. 
> -I../../src -I/usr/X11R6/include -I/usr/include/libxml2 -I../../include 
> -DGMXLIBDIR=\"/disk2/junwang/soft/gromacs4/share/top\" 
> -I/disk2/junwang/soft/fftw32_mpi/include -O3 -w -funroll-all-loops -MT 
> libxdrf.lo -MD -MP -MF .deps/libxdrf.Tpo -c libxdrf.c -o libxdrf.o
> libxdrf.c(112): error: identifier "XDR_INT_SIZE" is undefined
>         cnt += XDR_INT_SIZE;
>                ^
> libxdrf.c(140): error: identifier "XDR_INT_SIZE" is undefined
>         cnt += XDR_INT_SIZE;
>                ^
> compilation aborted for libxdrf.c (code 2)
> make[3]: *** [libxdrf.lo] Error 1
> make[3]: Leaving directory `/disk2/junwang/soft/src/gromacs-4.0/src/gmxlib'
> make[2]: *** [install-recursive] Error 1
> make[2]: Leaving directory `/disk2/junwang/soft/src/gromacs-4.0/src/gmxlib'
> make[1]: *** [install-recursive] Error 1
> make[1]: Leaving directory `/disk2/junwang/soft/src/gromacs-4.0/src'
> make: *** [install-recursive] Error 1

OK, that confirms my bug report here 
http://bugzilla.gromacs.org/show_bug.cgi?id=235.

I describe a workaround there.

Mark