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OpenMPI

566 bytes added, 07:08, 13 September 2013
First initialize data
<source lang="bash">
relax_single set CPU1=tomat ;set CPU2=haddock ;set MODE1=single ;set MODE2=multi ;set DATA=$HOME/software/NMR-relax/relax_disp/test_suite/shared_data/dispersion/KTeilum_FMPoulsen_MAkke_2006/acbp_cpmg_disp_048MGuHCl_40C_041223/ ;set TDATA=$HOME/relax_resultsmkdir -p $TDATA/$CPU1 $TDATA/$CPU2 ; cp -r $DATA $TDATA/$CPU1/$MODE1 ;cp -r $DATA $TDATA/$CPU1/$MODE2 ;cp -r $DATA $TDATA/$CPU2/$MODE1 ;cp -r $DATA $TDATA/$CPU2/$MODE2 ; relax_single $TDATA/$CPU1/$MODE1/relax_1_ini.py ;relax_single $TDATA/$CPU1/$MODE2/relax_1_ini.py ;relax_single $TDATA/$CPU2/$MODE1/relax_1_ini.py ;relax_single $TDATA/$CPU2/$MODE2/relax_1_ini.py;
</source>
'''Relax_full_analysis_performed_on_dataset'''
<source lang="bash">
#!/bin/tcsh
set CPU1=tomat ;
set CPU2=haddock ;
set MODE1=single ;
set MODE2=multi ;
set TDATA=$HOME/relax_results
 
set LOG=timing.log ;
set TLOG=log.tmp ;
set MODE=single $MODE1 ;
set RUNPROG="relax_${MODE} $HOME/software/NMR-relax/relax_disp/test_suite/shared_data/dispersion/KTeilum_FMPoulsen_MAkke_2006/acbp_cpmg_disp_048MGuHCl_40C_041223/relax_4_model_sel.py -t ${MODE}.log" ;
echo "---\n$RUNPROG" >> $LOG ;
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