Merged in geoOptFixSegFault (pull request #582)

Fix segfault in GeoOpt Approved-by: Sambit Das
dftfeDevelopers · Apr 15, 2024 · d14b6e0 · d14b6e0
2 parents d84415e + 6c6dfd7
commit d14b6e0
Showing 1 changed file with 2 additions and 1 deletion.
diff --git a/src/dft/initBoundaryConditions.cc b/src/dft/initBoundaryConditions.cc
@@ -406,7 +406,8 @@ namespace dftfe
  std::min(d_dftParamsPtr->chebyWfcBlockSize, d_numEigenValues);
 
  d_basisOperationsPtrDevice->createScratchMultiVectors(1, 3);
- d_basisOperationsPtrDevice->createScratchMultiVectors(BVec, 2);
+ d_basisOperationsPtrDevice->createScratchMultiVectors(
+ BVec, d_dftParamsPtr->overlapComputeCommunCheby ? 4 : 2);
  }
 #endif