X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=ctest%2Fnewcorr%2Fprota_unres_energy_check_mult.sh;h=470594fa5ff591f78a949dcf0da5cb1b73408930;hb=524901f1bb508801440dcc31c652512c02f34174;hp=20f68ab246abcc09891bea0752406f866c18d1b7;hpb=93ec2d7842f18652b316d02a120620ca3d142d58;p=unres.git

diff --git a/ctest/newcorr/prota_unres_energy_check_mult.sh b/ctest/newcorr/prota_unres_energy_check_mult.sh
index 20f68ab..470594f 100755
--- a/ctest/newcorr/prota_unres_energy_check_mult.sh
+++ b/ctest/newcorr/prota_unres_energy_check_mult.sh
@@ -243,7 +243,7 @@ elif [ "$1" ==  "Ts866_checkgrad_full" ] ; then
  fi
  
  
- if [ `echo "a=${diff};a>0.0020"|bc -l` != "0" ]; then
+ if [ `echo "a=${diff};a>0.0070"|bc -l` != "0" ]; then
     echo 'ERROR largest abs(1-numerical/analytical)' ${diff}
     echo ' greater than 0.0070'
     exit_error=1
@@ -313,14 +313,14 @@ fi
 myene=$grepene
 absdiff=`awk "function abs(v) {return v < 0 ? -v : v}BEGIN{print abs($grepene+$expectenergy)}"`
 
-true1=`echo "$absdiff >= $extremediff"|bc`
+true1=`awk "BEGIN{print $absdiff >= $extremediff}"`
 if [ $true1 -eq 1 ]; then
     echo "CRITICAL: energy is loo large $absdiff, ene= $myene"
     exit 2
 fi
 
 # Check if Energy value is as expected
-true2=`echo "$absdiff<=$cutoffdiff"|bc`
+true2=`awk "BEGIN{print $absdiff <= $cutoffdiff}"`
 if [ $true2 -eq 1 ]; then
     echo "OK: absdiff= $absdiff, ene= $myene"
     exit 0