Pass new parameter to openmp call. Required for gcc builds

GOMC-WSU · Jan 22, 2025 · f6690ca · f6690ca
1 parent ddaeaf5
commit f6690ca
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Showing 2 changed files with 2 additions and 2 deletions.
diff --git a/src/CalculateEnergy.cpp b/src/CalculateEnergy.cpp
@@ -326,7 +326,7 @@ CalculateEnergy::BoxForce(SystemPotential potential, XYZArray const &coords,
 #if defined _OPENMP && _OPENMP >= 201511 // check if OpenMP version is 4.5
 #pragma omp parallel for default(none) shared(boxAxes, cellStartIndex, \
   cellVector, coords, mapParticleToCell, neighborList) \
-  firstprivate(box, atomCount, molCount, num::qqFact) \
+  firstprivate(box, calcEnergies, atomCount, molCount, num::qqFact) \
   reduction(+:tempREn, tempLJEn, aForcex[:atomCount], aForcey[:atomCount], \
             aForcez[:atomCount], mForcex[:molCount], mForcey[:molCount], \
             mForcez[:molCount])

diff --git a/src/DCDlib.cpp b/src/DCDlib.cpp
@@ -200,7 +200,7 @@ OFF_T NAMD_seek(int file, OFF_T offset, int whence) {
   if (whence == SEEK_SET && retval != offset) {
     char buf[256];
     sprintf(buf,
-            "seek failed while writing DCD file: SEEK_SET %lld returned %lld\n",
+            "seek failed while writing DCD file: SEEK_SET %ld returned %ld\n",
             offset, retval);
     NAMD_die(buf);
   }