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-------- Original Message --------
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<th align="RIGHT" nowrap="nowrap" valign="BASELINE">Subject:
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<td>Re: gromacs installation in CyTera</td>
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<th align="RIGHT" nowrap="nowrap" valign="BASELINE">Date: </th>
<td>Mon, 17 Dec 2012 12:41:03 +0200</td>
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<th align="RIGHT" nowrap="nowrap" valign="BASELINE">From: </th>
<td>George Tsouloupas <a class="moz-txt-link-rfc2396E" href="mailto:g.tsouloupas@cyi.ac.cy"><g.tsouloupas@cyi.ac.cy></a></td>
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<th align="RIGHT" nowrap="nowrap" valign="BASELINE">To: </th>
<td>Paraskevi Gkeka <a class="moz-txt-link-rfc2396E" href="mailto:pgkeka@bioacademy.gr"><pgkeka@bioacademy.gr></a></td>
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<th align="RIGHT" nowrap="nowrap" valign="BASELINE">CC: </th>
<td>Thekla Loizou <a class="moz-txt-link-rfc2396E" href="mailto:t.loizou@cyi.ac.cy"><t.loizou@cyi.ac.cy></a></td>
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<pre>Ευχαρίστησή μας!
##################################################
module purge
module load torque
ver=mpi_d
module load FFTW/3.3.1-gompi-1.1.0-FLOAT CMake/2.8.4-gompi-1.1.0 CUDA/4.2
#module load cmake gcc fftw/3.3-gcc-openmpi
rm gromacs-$ver
mkdir gromacs-$ver
#ln -s /gpfs/scratch/GPUWorkshop/gromacs-$ver .
cd gromacs-$ver
cmake .. -DGMX_MPI=ON -DGMX_OPENMP=ON -DCMAKE_INSTALL_PREFIX=./install
make
make install
##################################################
I am not sure I left this in a working state. Let me know whether it
works on not..
thanks,
George.
On 12/17/2012 12:33 PM, Paraskevi Gkeka wrote:
> Giwrgo geia,
>
> katarxas sygxarhthria gia th diorganwsh tou workshop - htan pragmatika
> poly xrhsimo gia thn poreia tou project mas. H8ela na sou zhthsw an
> mporeis na mou steileis to script me ta commands gia to compilation
> tou Gromacs.
>
> Euxaristw,
> Evi
>
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