From 0105f2b0d41fc97ab554a92cf543f0b9ce35fb11 Mon Sep 17 00:00:00 2001
From: Huub Van Dam <hvandam@bnl.gov>
Date: Thu, 17 May 2012 17:54:27 +0000
Subject: [PATCH] HvD: Changed runtests.mpi.unix so that each time a
 calculation fails (for whatever reason) the printed line includes "failed".
 This makes it easy to search for failed calculations. Previously you would
 have to search for multiple things like "failed", "cannot", "Could not", etc.
 As a result failure were missed. The changes to the tests are actually
 activating tests that were supposed to be run. Due to files having the wrong
 name they were not run, but these failures were missed due to the issue
 addressed in runtests.mpi.unix.

---
 QA/runtests.mpi.unix                          | 26 +++++++++----------
 QA/tests/ch3_m06-hf/{ch3.nw => ch3_m06-hf.nw} |  0
 .../ch3_m06-hf/{ch3.out => ch3_m06-hf.out}    |  0
 .../cnh5_m06-2x/{cnh5.nw => cnh5_m06-2x.nw}   |  0
 .../cnh5_m06-2x/{cnh5.out => cnh5_m06-2x.out} |  0
 5 files changed, 13 insertions(+), 13 deletions(-)
 rename QA/tests/ch3_m06-hf/{ch3.nw => ch3_m06-hf.nw} (100%)
 rename QA/tests/ch3_m06-hf/{ch3.out => ch3_m06-hf.out} (100%)
 rename QA/tests/cnh5_m06-2x/{cnh5.nw => cnh5_m06-2x.nw} (100%)
 rename QA/tests/cnh5_m06-2x/{cnh5.out => cnh5_m06-2x.out} (100%)

diff --git a/QA/runtests.mpi.unix b/QA/runtests.mpi.unix
index 1e3a7cec32..c2aac92bf9 100755
--- a/QA/runtests.mpi.unix
+++ b/QA/runtests.mpi.unix
@@ -77,7 +77,7 @@ else
 endif
 
 if (! -x $NWCHEM) then
-  echo cannot execute $NWCHEM
+  echo failed: cannot execute $NWCHEM
   exit 1
 endif
 
@@ -89,13 +89,13 @@ if (! $?NWPARSE) then
   else if ($?NWCHEM_TOP) then
     set NWPARSE = $NWCHEM_TOP/QA/nwparse.pl
   else
-    echo Cannot find nwparse.pl.  Set NWPARSE or NWCHEM_TOP appropriately.
+    echo failed: Cannot find nwparse.pl.  Set NWPARSE or NWCHEM_TOP appropriately.
     exit 1
   endif
 endif
 
 if ($NPROC) then
-#  find mpirun  
+# find mpirun  
    if ($?MPIRUN_PATH) then   
       set MPIRUN = "$MPIRUN_PATH "
    else 
@@ -105,12 +105,12 @@ if ($NPROC) then
          echo " setenv MPIRUN_PATH /home/guido/bagheria/bin/mpirun "
          echo " Please make sure you have the right mpirun for your system."
          exit 2
-      endif
    endif
-#  find the -np option ??
-   if ($?MPIRUN_NPOPT) then   
-      set NPOPT = "$MPIRUN_NPOPT "
-   else 
+endif
+# find the -np option ??
+if ($?MPIRUN_NPOPT) then   
+   set NPOPT = "$MPIRUN_NPOPT "
+else 
       if ($NONSTD_MPI) then
 #        you are on your own anyway...
       else
@@ -135,7 +135,7 @@ set TESTOUTPUTS = $CURDIR/testoutputs
 if (! -d $TESTOUTPUTS) then
   mkdir $TESTOUTPUTS
   if ($status) then
-    echo cannot make directory $TESTOUTPUTS
+    echo failed: cannot make directory $TESTOUTPUTS
     exit 1
   endif
 endif
@@ -158,7 +158,7 @@ foreach TEST ($args_2_use)
 # if $TESTDIR not directory skip
 #
   if(! -d $TESTDIR) then
-    echo could not find job in $TEST
+    echo failed: could not find job in $TEST
     echo ignoring this failure
     continue
   endif
@@ -176,7 +176,7 @@ foreach TEST ($args_2_use)
   if (! -d $SCRATCHDIR) then
     mkdir $SCRATCHDIR
     if ($status) then
-      echo failed to make $SCRATCHDIR
+      echo failed: cannot make $SCRATCHDIR
       exit 1
     endif
   endif
@@ -229,13 +229,13 @@ foreach TEST ($args_2_use)
 
   
   if (! -f $TESTDIR/$INPUTFILE) then
-    echo cannot access $TESTDIR/$INPUTFILE
+    echo failed: cannot access $TESTDIR/$INPUTFILE
     set overall_status = 1
     continue
   endif
   if(! $md_test_run) then
   if (! -f $TESTDIR/$OUTPUTFILE) then
-    echo Could not find verified output file $TESTDIR/$OUTPUTFILE
+    echo failed: Could not find verified output file $TESTDIR/$OUTPUTFILE
     set overall_status  = 1
     continue
   endif
diff --git a/QA/tests/ch3_m06-hf/ch3.nw b/QA/tests/ch3_m06-hf/ch3_m06-hf.nw
similarity index 100%
rename from QA/tests/ch3_m06-hf/ch3.nw
rename to QA/tests/ch3_m06-hf/ch3_m06-hf.nw
diff --git a/QA/tests/ch3_m06-hf/ch3.out b/QA/tests/ch3_m06-hf/ch3_m06-hf.out
similarity index 100%
rename from QA/tests/ch3_m06-hf/ch3.out
rename to QA/tests/ch3_m06-hf/ch3_m06-hf.out
diff --git a/QA/tests/cnh5_m06-2x/cnh5.nw b/QA/tests/cnh5_m06-2x/cnh5_m06-2x.nw
similarity index 100%
rename from QA/tests/cnh5_m06-2x/cnh5.nw
rename to QA/tests/cnh5_m06-2x/cnh5_m06-2x.nw
diff --git a/QA/tests/cnh5_m06-2x/cnh5.out b/QA/tests/cnh5_m06-2x/cnh5_m06-2x.out
similarity index 100%
rename from QA/tests/cnh5_m06-2x/cnh5.out
rename to QA/tests/cnh5_m06-2x/cnh5_m06-2x.out