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37 #include "gromacs/applied_forces/awh/biassharing.h"
39 #include <gmock/gmock.h>
40 #include <gmock/gmock-matchers.h>
41 #include <gtest/gtest.h>
43 #include "gromacs/mdtypes/commrec.h"
44 #include "thread_mpi/tmpi.h"
46 #include "gromacs/applied_forces/awh/tests/awh_setup.h"
47 #include "testutils/testasserts.h"
55 // This test requires thread-MPI
61 //! The number of thread-MPI ranks to run this test on
62 const int c_numRanks = 4;
64 //! The number of simulations sharing the same bias
65 const int c_numSharingBiases = 2;
67 /*! \brief The actual test body, executed by each MPI rank
69 * Sets ups sharing and sums over sahring simulations.
71 void parallelTestFunction(const void gmx_unused* dummy)
74 MPI_Comm_size(MPI_COMM_WORLD, &numRanks);
75 GMX_RELEASE_ASSERT(numRanks == c_numRanks, "Expect c_numRanks thread-MPI ranks");
78 MPI_Comm_rank(MPI_COMM_WORLD, &myRank);
79 const int shareGroup = 1 + (myRank / c_numSharingBiases);
81 t_commrec commRecord = { 0 };
82 commRecord.nnodes = 1;
84 const std::vector<char> serializedAwhParametersPerDim = awhDimParamSerialized();
85 auto awhDimArrayRef = gmx::arrayRefFromArray(&serializedAwhParametersPerDim, 1);
86 AwhTestParameters params = getAwhTestParameters(AwhHistogramGrowthType::ExponentialLinear,
87 AwhPotentialType::Convolved,
96 BiasSharing biasSharing(params.awhParams, commRecord, MPI_COMM_WORLD);
98 EXPECT_EQ(biasSharing.numSharingSimulations(0), c_numSharingBiases);
99 EXPECT_EQ(biasSharing.sharingSimulationIndex(0), myRank % c_numSharingBiases);
101 const std::array<int, c_numRanks> input{ 1, 2, 4, 8 };
102 std::array<int, 1> buffer{ input[myRank] };
104 biasSharing.sumOverSharingMasterRanks(buffer, 0);
106 for (int i = 0; i < c_numSharingBiases; i++)
108 expectedSum += input[(myRank / c_numSharingBiases) * c_numSharingBiases + i];
110 EXPECT_EQ(buffer[0], expectedSum);
115 TEST(BiasSharingTest, SharingWorks)
117 if (tMPI_Init_fn(FALSE, c_numRanks, TMPI_AFFINITY_NONE, parallelTestFunction, static_cast<const void*>(this))
120 GMX_THROW(gmx::InternalError("Failed to spawn thread-MPI threads"));