Match comparison for Energy [step 20] (match type 12072)

Commits > Commit 7a2379c5947d58fb2522a5e1a0c4903dfa35a523 > Input 14-fullerene_unpacked.02-td-unpacked.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.184088237668212e+02 1.100000000000000e-10 -3.184088237668678e+02 7.199923803165995e-11 -3.184088237668213e+02 8.816414265311323e-11 PASS
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Detailed information

Reference: -318.40882376682123, precision: 0.00000000011
Run Value Difference Relative difference Status
spack_foss-2023a_mpi_debug -3.184088237669085e+02 -8.725464795134030e-11 -7.932240722849119e-01 PASS
spack_foss-2023a_mpi_omp -3.184088237669052e+02 -8.401457307627425e-11 -7.637688461479477e-01 PASS
cmake_foss_2022a_min_serial -3.184088237669067e+02 -8.543565854779445e-11 -7.766878049799496e-01 PASS
cmake_foss_2022a_full_serial -3.184088237669067e+02 -8.543565854779445e-11 -7.766878049799496e-01 PASS
cmake_foss_2022a_min_mpi -3.184088237669077e+02 -8.651568350614980e-11 -7.865062136922709e-01 PASS
cmake_foss_2022a_full_mpi -3.184088237668950e+02 -7.378275768132880e-11 -6.707523425575346e-01 PASS
spack_intel-2023a_serial -3.184088237668998e+02 -7.861444828449748e-11 -7.146768025863408e-01 PASS
spack_intel-2022a_impi_omp -3.184088237669069e+02 -8.566303222323768e-11 -7.787548383930698e-01 PASS
spack_intel-2022a_serial_omp -3.184088237669079e+02 -8.662937034387141e-11 -7.875397303988311e-01 PASS
spack_intel-2023a_serial_omp -3.184088237669043e+02 -8.310507837450132e-11 -7.555007124954666e-01 PASS
spack_intel-2023a_impi -3.184088237669078e+02 -8.657252692501061e-11 -7.870229720455511e-01 PASS
spack_foss-2022a_cuda_mpi_omp -3.184088237669094e+02 -8.822098607197404e-11 -8.020089642906731e-01 PASS
spack_foss-2022a_serial_min -3.184088237667331e+02 8.810729923425242e-11 8.009754475841130e-01 PASS
spack_foss-2023a_serial_min -3.184088237667331e+02 8.810729923425242e-11 8.009754475841130e-01 PASS
spack_foss-2022a_serial -3.184088237667331e+02 8.810729923425242e-11 8.009754475841130e-01 PASS
spack_foss-2023a_serial -3.184088237667331e+02 8.810729923425242e-11 8.009754475841130e-01 PASS
spack_foss-2023a_serial_opt -3.184088237669067e+02 -8.543565854779445e-11 -7.766878049799496e-01 PASS
spack_foss-2023b_serial -3.184088237667331e+02 8.810729923425242e-11 8.009754475841130e-01 PASS
spack_foss-2022a_ppc -3.184088237669055e+02 -8.429879017057829e-11 -7.663526379143480e-01 PASS
spack_foss-2022a_cuda_serial -3.184088237669064e+02 -8.520828487235121e-11 -7.746207715668293e-01 PASS
spack_foss-2023a_mpi_min -3.184088237669090e+02 -8.776623872108757e-11 -7.978748974644325e-01 PASS
spack_foss-2022a_mpi_min -3.184088237669090e+02 -8.776623872108757e-11 -7.978748974644325e-01 PASS
spack_foss-2023a_serial_omp -3.184088237669073e+02 -8.606093615526333e-11 -7.823721468660304e-01 PASS
spack_foss-2023a_serial_debug -3.184088237667331e+02 8.810729923425242e-11 8.009754475841130e-01 PASS
spack_foss-2023a_mpi_opt -3.184088237669057e+02 -8.446932042716071e-11 -7.679029129741883e-01 PASS
spack_foss-2022a_mpi -3.184088237669052e+02 -8.401457307627425e-11 -7.637688461479477e-01 PASS
spack_foss-2023a_mpi -3.184088237669087e+02 -8.748202162678353e-11 -7.952911056980322e-01 PASS