On 6/05/2012 9:08 PM, amit banerjee wrote:
Dear Gromacs Users,
I am trying to install gromacs 4.5.5
version in a CENTOS 5.4 machine with FFTW 3.3.1.
To do so, I have downloaded both the tar.gz files in root and tried to
install them as per the standard installatio
Dear Gromacs Users,
I am trying to install gromacs 4.5.5 version in
a CENTOS 5.4 machine with FFTW 3.3.1.
To do so, I have downloaded both the tar.gz files in root and tried to install
them as per the standard installation protocol.
Unfortunately i am receiving the
nitu sharma wrote:
Hi All ,
I have installed gromacs 4.0.3 successfully but again when I
put the command "make tests" it gives output like this ,
"(if test -d "gmxtest"; then cd "gmxtest"; ./gmxtest.pl all; cd ..; \
else echo "No gmxtest directory found. Please download
Hi All ,
I have installed gromacs 4.0.3 successfully but again when I put
the command "make tests" it gives output like this ,
"(if test -d "gmxtest"; then cd "gmxtest"; ./gmxtest.pl all; cd ..; \
else echo "No gmxtest directory found. Please download and unpack it
here.";\
On Fri, Feb 20, 2009 at 2:45 PM, nitu sharma wrote:
> Dear All,
>
> I have successfully insstalled gromacs on my 32 bit
> i686 linux system but when I give the mdrun command for running gromacs on
> my system the output is like this
>
> "mdrun: error while loading shared lib
nitu sharma wrote:
Dear All,
I have successfully insstalled gromacs on my 32 bit
i686 linux system but when I give the mdrun command for running gromacs
on my system the output is like this
"mdrun: error while loading shared libraries:
/usr/local/gromacs/lib/libmd.so.5
Dear All,
I have successfully insstalled gromacs on my 32 bit i686
linux system but when I give the mdrun command for running gromacs on my
system the output is like this
"mdrun: error while loading shared libraries:
/usr/local/gromacs/lib/libmd.so.5: cannot restore segment
On Thu, Feb 19, 2009 at 10:45 AM, nitu sharma wrote:
> *Dear All,
>
> I have compiled fft-3.2.1 in a specific user directory; then configured,
> compiled gromacs-4.0.3 from source code according to directions and installed
> it in the
> specific directory, all without any errors, but at the end "
GMXRC is not to be ran but to sourced:
source /path/GMXRC
On Feb 19, 2009, at 12:35 PM, nitu sharma wrote:
Hello All
I have successfully installed gromacs by using
source code gromacs-4.0.3 but when I run the GMXRC command the
output is
/usr/local/gromacs/bin/GMX
Hello All
I have successfully installed gromacs by using source
code gromacs-4.0.3 but when I run the GMXRC command the output is
/usr/local/gromacs/bin/GMXRC: line 35: return: can only `return' from a
function or sourced script
/usr/local/gromacs/bin/GMXRC: line 44: CSH:: c
nitu sharma wrote:
*Dear All,
I have compiled fft-3.2.1 in a specific user directory; then configured,
compiled gromacs-4.0.3 from source code according to directions and installed
it in the
specific directory, all without any errors, but at the end "make tests"
command fails, the output is:
*Dear All,
I have compiled fft-3.2.1 in a specific user directory; then configured,
compiled gromacs-4.0.3 from source code according to directions and
installed it in the
specific directory, all without any errors, but at the end "make tests"
command fails, the output is:
(if test -d "gmxtest";
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