From 3837e43da2324916a735aaa02f4b4cdcb563209a Mon Sep 17 00:00:00 2001
From: edoapra <edoardo.apra@gmail.com>
Date: Mon, 4 Dec 2017 15:17:39 -0800
Subject: [PATCH] debu mpipr failures; added USE_SLEEPLOOP env. variable in
 runtests.mpi.unix

---
 .travis.yml          |  1 +
 QA/runtests.mpi.unix | 16 +++++++++++-----
 travis/run_qas.sh    | 11 ++++++-----
 3 files changed, 18 insertions(+), 10 deletions(-)

diff --git a/.travis.yml b/.travis.yml
index 20aaa967be..13debf9abe 100644
--- a/.travis.yml
+++ b/.travis.yml
@@ -39,4 +39,5 @@ after_failure:
         - grep -i tce_energy $TRAVIS_BUILD_DIR/src/6log
         - grep d= $TRAVIS_BUILD_DIR/QA/testoutputs/dft_he2+.out
         - grep @ $TRAVIS_BUILD_DIR/QA/testoutputs/h2o_opt.out
+        - cat d= $TRAVIS_BUILD_DIR/QA/testoutputs/dft_he2+.out
               
diff --git a/QA/runtests.mpi.unix b/QA/runtests.mpi.unix
index c53504b277..734ea841a9 100755
--- a/QA/runtests.mpi.unix
+++ b/QA/runtests.mpi.unix
@@ -285,7 +285,7 @@ foreach TEST_in ($args_2_use)
 
   if (-f $TESTOUTPUTS/$STUB.out) /bin/rm -f $TESTOUTPUTS/$STUB.out
 
-  echo "     running nwchem ($NWCHEM)"
+  echo "     running nwchem ($NWCHEM)  with "$NPROC" processors "
 
   set x="%Uu %Ss %E %P (%Xt+%Dds+%Kavg+%Mmax)k %Ii+%Oo %Fpf %Wswaps"
   set time=(1 "$x")
@@ -299,8 +299,11 @@ sync
   if($md_test_run) then
     if ($NPROC) then
       if ($NONSTD_MPI) then
-        $MPIRUN $NWCHEM $INPUTFILE >& $OUTPUTFILE
-$NWCHEM_TOP/QA/sleep_loopqa.sh        $MPIRUN $NPOPT $NPROC $NWCHEM $INPUTFILE  $OUTPUTFILE
+      if (! $?USE_SLEEPLOOP) then
+          $MPIRUN $NWCHEM $INPUTFILE >& $OUTPUTFILE
+	else
+          $NWCHEM_TOP/QA/sleep_loopqa.sh        $MPIRUN $NPOPT $NPROC $NWCHEM $INPUTFILE  $OUTPUTFILE
+	endif
         @ runstatus = $status
       else
         $MPIRUN $NPOPT $NPROC $NWCHEM $INPUTFILE >& $OUTPUTFILE
@@ -340,8 +343,11 @@ $NWCHEM_TOP/QA/sleep_loopqa.sh        $MPIRUN $NPOPT $NPROC $NWCHEM $INPUTFILE
         @ runstatus = $status
       else
 #       In the case of standard MPI we construct the appropriate command here.
-$NWCHEM_TOP/QA/sleep_loopqa.sh        $MPIRUN $NPOPT $NPROC $NWCHEM $INPUTFILE  $OUTPUTFILE
-#        $MPIRUN $NPOPT $NPROC $NWCHEM $INPUTFILE >& $TESTOUTPUTS/$OUTPUTFILE
+      if (! $?USE_SLEEPLOOP) then
+        $MPIRUN $NPOPT $NPROC $NWCHEM $INPUTFILE >& $TESTOUTPUTS/$OUTPUTFILE
+      else
+          $NWCHEM_TOP/QA/sleep_loopqa.sh        $MPIRUN $NPOPT $NPROC $NWCHEM $INPUTFILE  $OUTPUTFILE
+      endif
         @ runstatus = $status
       endif
     else
diff --git a/travis/run_qas.sh b/travis/run_qas.sh
index 6401c23b39..05f17d348a 100755
--- a/travis/run_qas.sh
+++ b/travis/run_qas.sh
@@ -6,10 +6,11 @@
    nprocs=3
  fi
  if [[ "$NWCHEM_MODULES" == "tce" ]]; then
-   cd $NWCHEM_TOP/QA && ./runtests.mpi.unix procs $nprocs tce_n2 tce_ccsd_t_h2o tce_h2o_eomcc
-   cd $NWCHEM_TOP/QA && ./runtests.mpi.unix procs $nprocs tce_ipccsd_f2 tce_eaccsd_ozone
+   cd $NWCHEM_TOP/QA && USE_SLEEPLOOP=1 ./runtests.mpi.unix procs $nprocs tce_n2 tce_ccsd_t_h2o tce_h2o_eomcc
+   cd $NWCHEM_TOP/QA && USE_SLEEPLOOP=1 ./runtests.mpi.unix procs $nprocs tce_ipccsd_f2 tce_eaccsd_ozone
  else
-   cd $NWCHEM_TOP/QA && ./runtests.mpi.unix procs $nprocs dft_siosi3
-   cd $NWCHEM_TOP/QA && ./runtests.mpi.unix procs $nprocs h2o_opt dft_he2+ cosmo_h2o_dft tddft_h2o h2o2-response
-   cd $NWCHEM_TOP/QA && ./runtests.mpi.unix procs $nprocs pspw pspw_md
+   cd $NWCHEM_TOP/QA && ./runtests.mpi.unix procs $nprocs dft_he2+ 
+   cd $NWCHEM_TOP/QA && USE_SLEEPLOOP=1 ./runtests.mpi.unix procs $nprocs h2o_opt cosmo_h2o_dft tddft_h2o h2o2-response
+   cd $NWCHEM_TOP/QA && USE_SLEEPLOOP=1 ./runtests.mpi.unix procs $nprocs dft_siosi3
+   cd $NWCHEM_TOP/QA && USE_SLEEPLOOP=1 ./runtests.mpi.unix procs $nprocs pspw pspw_md
  fi