X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=blobdiff_plain;f=src%2Fgromacs%2Fapplied_forces%2Fawh%2Fbiassharing.cpp;h=8c519a5640b3c8e9dd9efe8aa07d9a33ce8d6c24;hb=9cf1bd23abe8ac9a4e2638845d34ae1b1ccf19b7;hp=176d0c350d2cb0b1f94fb3691c9a7c707cadea1e;hpb=1cec3d370882e309e9955e3c0361b86dd52ed606;p=alexxy%2Fgromacs.git diff --git a/src/gromacs/applied_forces/awh/biassharing.cpp b/src/gromacs/applied_forces/awh/biassharing.cpp index 176d0c350d..8c519a5640 100644 --- a/src/gromacs/applied_forces/awh/biassharing.cpp +++ b/src/gromacs/applied_forces/awh/biassharing.cpp @@ -270,22 +270,22 @@ void sumOverSimulations(ArrayRef data, #endif // GMX_MPI } -void BiasSharing::sumOverMasterRanks(ArrayRef data, const int biasIndex) const +void BiasSharing::sumOverSharingMasterRanks(ArrayRef data, const int biasIndex) const { sumOverSimulations(data, multiSimCommPerBias_[biasIndex], false, commRecord_); } -void BiasSharing::sumOverMasterRanks(ArrayRef data, const int biasIndex) const +void BiasSharing::sumOverSharingMasterRanks(ArrayRef data, const int biasIndex) const { sumOverSimulations(data, multiSimCommPerBias_[biasIndex], false, commRecord_); } -void BiasSharing::sum(ArrayRef data, const int biasIndex) const +void BiasSharing::sumOverSharingSimulations(ArrayRef data, const int biasIndex) const { sumOverSimulations(data, multiSimCommPerBias_[biasIndex], true, commRecord_); } -void BiasSharing::sum(ArrayRef data, const int biasIndex) const +void BiasSharing::sumOverSharingSimulations(ArrayRef data, const int biasIndex) const { sumOverSimulations(data, multiSimCommPerBias_[biasIndex], true, commRecord_); } @@ -334,7 +334,7 @@ void biasesAreCompatibleForSharingBetweenSimulations(const AwhParams& awhP std::vector intervals(numSim * 2); intervals[numSim * 0 + simIndex] = awhParams.nstSampleCoord(); intervals[numSim * 1 + simIndex] = awhParams.numSamplesUpdateFreeEnergy(); - biasSharing.sumOverMasterRanks(intervals, b); + biasSharing.sumOverSharingMasterRanks(intervals, b); for (int sim = 1; sim < numSim; sim++) { if (intervals[sim] != intervals[0]) @@ -352,7 +352,7 @@ void biasesAreCompatibleForSharingBetweenSimulations(const AwhParams& awhP std::vector pointSizes(numSim); pointSizes[simIndex] = pointSize[b]; - biasSharing.sumOverMasterRanks(pointSizes, b); + biasSharing.sumOverSharingMasterRanks(pointSizes, b); for (int sim = 1; sim < numSim; sim++) { if (pointSizes[sim] != pointSizes[0])