Changes

OpenMPI

566 bytes added, 07:08, 13 September 2013

→‎B - Relax full analysis performed on dataset

First initialize data

~~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'''

#!/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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