Here are the script I used to install the GROMACS-3.3.1 double precision on a True64 Unix system.
I installed fftw-3.0.1 first and it was successful.
./configure --enable-float --enable-type-prefix; make; make install
./configure --enable-type-prefix; make; make install
Then I started the gromacs installation:
./configure --enable-double --program-suffix=_d; make
I got the following message on the screen:
mkdir .libs
rm -fr .libs/libgmx_d.lax
mkdir .libs/libgmx_d.lax
rm -fr .libs/libgmx_d.lax/libnonbonded.a
mkdir .libs/libgmx_d.lax/libnonbonded.a
(cd .libs/libgmx_d.lax/libnonbonded.a && ar x /usr/users/5/lzhou2/gmx/gromacs-3.3.1/src/gmxlib/nonbonded/.libs/libnonbonded.a)
rm -fr .libs/libgmx_d.lax/libblas.a
mkdir .libs/libgmx_d.lax/libblas.a
(cd .libs/libgmx_d.lax/libblas.a && ar x /usr/users/5/lzhou2/gmx/gromacs-3.3.1/src/gmxlib/gmx_blas/.libs/libblas.a)
rm -fr .libs/libgmx_d.lax/liblapack.a
mkdir .libs/libgmx_d.lax/liblapack.a
sh: 210705 Memory fault - core dumped
*** Exit 139
In the config.log file, I got another error message:
#define PACKAGE "gromacs"
#define PACKAGE_BUGREPORT "gmx-users@gromacs.org"
#define PACKAGE_NAME "GROMACS"
#define PACKAGE_STRING "GROMACS 3.3.1"
#define PACKAGE_TARNAME "gromacs"
#define PACKAGE_VERSION "3.3.1"
#define RETSIGTYPE void
#define SIZEOF_INT 4
#define SIZEOF_LONG_INT 8
#define SIZEOF_LONG_LONG_INT 8
#define STDC_HEADERS 1
#define VERSION "3.3.1"
#define inline __inline
#endif
#endif
#ifdef __cplusplus
#ifndef __cplusplus
extern "C" void std::exit (int) throw (); using std::exit;
configure: exit 0
I am wondering the connection between these two error messages and how to correct them.
Thank you in advance for the help.
Lei Zhou
Columbia University
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