[gmx-users] 3.3.1 installation on True64 Unix system

[David van der Spoel]

Lei Zhou wrote:
> Dear GMX-users,
> 
> 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

this looks like a compiler bug. contact your sysadmin and/or computer vendor


> 
> In the config.log file, I got another error message:
> 
> #define PACKAGE "gromacs"
> #define PACKAGE_BUGREPORT "gmx-users at gromacs.org 
> <mailto:gmx-users at 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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> 
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
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