# Copyright (C) 2001 Quantum ESPRESSO # # This program is free software; you can redistribute it and/or # modify it under the terms of the GNU General Public License # as published by the Free Software Foundation; either version 2 # of the License. See the file `License' in the root directory # of the present distribution. # # SP: This can lead to issue if you reach the OS pipe buffer # You can increase the buffer in /proc/sys/fs/pipe-max-size fname=$1 args=$(echo $fname | awk -F= '{print $NF}') scf=$(echo $fname | awk '/pw/{print 1}' ) turbolancz=$(echo $fname | awk '/tddfpt-in/{print 1}' ) eels=$(echo $fname | awk '/eels-in/{print 1}' ) turbospec=$(echo $fname | awk '/pp-in/{print 1}' ) turbospeceels=$(echo $fname | awk '/pp_eels-in/{print 1}' ) # SCF if (( scf == 1 )) then e1=`grep ! $fname | tail -1 | awk '{printf "%12.6f\n", $5}'` n1=`grep 'convergence has' $fname | tail -1 | awk '{print $6}'` f1=`grep "Total force" $fname | head -1 | awk '{printf "%8.4f\n", $4}'` p1=`grep "P= " $fname | tail -1 | awk '{print $6}'` fi # turbo_lanczos.x if (( turbolancz == 1 )) then alpha=`grep "alpha" $fname | awk '{print $2}'` beta=`grep "beta " $fname | awk '{print $3}'` gamma=`grep "gamma" $fname | awk '{print $2}'` fi #turbo_eels.x if (( eels == 1 )) then nblanczos=`grep "Number of Lanczos iterations" $fname | awk '{print $6}'` fi # turbo_spectrum.x if (( turbospec == 1 )) then ###average=`grep "Average =" $fname | awk '{print $3}'` ###averageosc=`grep "Average oscillation amplitude" $fname | awk '{print $5}'` plotchi=`grep "chi_1_1=" $fname | awk '{print $4}'` ####epsm1=`tail -n +2 *.plot_eps.dat | awk '{print $4}'` ####epsm1=`tail -n +2 $fname | awk '{print $4}'` fi if (( turbospeceels == 1 )) then epsm1=`tail -n +2 $fname | awk '{print $4}'` fi if test "$nblanczos" != ""; then echo nblanczos for x in $nblanczos; do echo $x; done fi if test "$plotchi" != ""; then echo plotchi for x in $plotchi; do echo $x; done fi if test "$epsm1" != ""; then echo epsm1 for x in $epsm1; do echo $x; done fi if test "$average" != ""; then echo average for x in $average; do echo $x; done fi if test "$averageosc" != ""; then echo averageosc for x in $averageosc; do echo $x; done fi if test "$alpha" != ""; then echo alpha for x in $alpha; do echo $x; done fi if test "$beta" != ""; then echo beta for x in $beta; do echo $x; done fi if test "$gamma" != ""; then echo gamma for x in $gamma; do echo $x; done fi if test "$e1" != ""; then echo e1 echo $e1 fi if test "$n1" != ""; then echo n1 echo $n1 fi if test "$f1" != ""; then echo f1 echo $f1 fi if test "$p1" != ""; then echo p1 echo $p1 fi