Match comparison for Energy [step 20] (match type 12072)
Commits >
Commit 648faf2c6f79684bb4504aeb1ba8c9cb14e3b2f7 >
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 | 7.201854706568983e-11 | -3.184088237668229e+02 | 8.984102350950707e-11 | PASS |
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Detailed information
Reference: -318.40882376682123, precision: 0.00000000011Run | Value | Difference | Relative difference | Status |
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-2023a_serial_opt | -3.184088237669067e+02 | -8.543565854779445e-11 | -7.766878049799496e-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-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-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-2022a_cuda_serial | -3.184088237669064e+02 | -8.520828487235121e-11 | -7.746207715668293e-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 | -3.184088237669061e+02 | -8.486722435918637e-11 | -7.715202214471488e-01 | PASS |
spack_foss-2023a_mpi | -3.184088237669026e+02 | -8.139977580867708e-11 | -7.399979618970643e-01 | PASS |
spack_foss-2022a_mpi | -3.184088237669076e+02 | -8.640199666842818e-11 | -7.854726969857108e-01 | PASS |
spack_foss-2023a_mpi_debug | -3.184088237669058e+02 | -8.452616384602152e-11 | -7.684196713274684e-01 | PASS |
spack_foss-2022a_cuda_mpi_omp | -3.184088237669075e+02 | -8.628830983070657e-11 | -7.844391802791506e-01 | PASS |
spack_foss-2023a_mpi_omp | -3.184088237669007e+02 | -7.946709956740960e-11 | -7.224281778855419e-01 | PASS |
cmake_foss_2022a_full_serial | -3.184088237669067e+02 | -8.543565854779445e-11 | -7.766878049799496e-01 | PASS |
cmake_foss_2022a_min_serial | -3.184088237669067e+02 | -8.543565854779445e-11 | -7.766878049799496e-01 | PASS |
cmake_foss_2022a_min_mpi | -3.184088237669128e+02 | -9.157474778476171e-11 | -8.324977071341975e-01 | PASS |
cmake_foss_2022a_full_mpi | -3.184088237669058e+02 | -8.458300726488233e-11 | -7.689364296807485e-01 | PASS |
spack_intel-2023a_serial | -3.184088237668998e+02 | -7.861444828449748e-11 | -7.146768025863408e-01 | PASS |
spack_intel-2022a_serial_omp | -3.184088237669079e+02 | -8.662937034387141e-11 | -7.875397303988311e-01 | PASS |
spack_intel-2022a_impi_omp | -3.184088237669052e+02 | -8.401457307627425e-11 | -7.637688461479477e-01 | PASS |
spack_intel-2023a_serial_omp | -3.184088237669043e+02 | -8.310507837450132e-11 | -7.555007124954666e-01 | PASS |
spack_intel-2023a_impi | -3.184088237669079e+02 | -8.662937034387141e-11 | -7.875397303988311e-01 | PASS |