[gmx-users] Re: Installation Gromacs 4.5.7 on rocluster cluster with centos 6.0

[bharat gupta]

Hi,

I am trying to install gromacs 4.5.7 on rocks cluster(6.0) and it works
fine till .configure command, but I am getting error at the make command :-

Error:
====================
[root at cluster gromacs-4.5.7]# make
/bin/sh ./config.status --recheck
running CONFIG_SHELL=/bin/sh /bin/sh ./configure  --enable-mpi
LDFLAGS=-L/opt/rocks/lib CPPFLAGS=-I/opt/rocks/include  --no-create
--no-recursion
checking build system type... x86_64-unknown-linux-gnu
checking host system type... x86_64-unknown-linux-gnu
./configure: line 2050: syntax error near unexpected token `tar-ustar'
./configure: line 2050: `AM_INIT_AUTOMAKE(tar-ustar)'
make: *** [config.status] Error 2


I have another query regarding the gromacs that comes with the Rocks
cluster distribution. The mdrun of that gromacs has been complied without
mpi option. How can I recomplie with mpi option. As I need the .configure
file which is not there in the installed gromacs folder of the rocks
cluster ...


Thanks in advance for help




Regards
------------
Bharat