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

Commits > Commit e5fcdd4b6e483a88fb99eafb58d1df80750fbe8c > 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 -3.184088237668845e+02 5.476577548926934e-11 -3.184088237668210e+02 8.787992555880919e-11 PASS
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Detailed information

Reference: -318.40882376682123, precision: 0.00000000011
Run Value Difference Relative difference Status
cmake_foss_2022a_full_serial -3.184088237669067e+02 -8.543565854779445e-11 -7.766878049799496e-01 PASS
foss-2022a_ppc -3.184088237669082e+02 -8.697043085703626e-11 -7.906402805185115e-01 PASS
spack_foss-2022a_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
cmake_foss_2022a_min_mpi -3.184088237669019e+02 -8.071765478234738e-11 -7.337968616577035e-01 PASS
foss-2022a_opt -3.184088237669023e+02 -8.105871529551223e-11 -7.368974117773839e-01 PASS
intel-2022b -3.184088237669037e+02 -8.242295734817162e-11 -7.492996122561056e-01 PASS
intel-2022a -3.184088237669037e+02 -8.242295734817162e-11 -7.492996122561056e-01 PASS
cmake_foss_2022a_full_mpi -3.184088237669080e+02 -8.674305718159303e-11 -7.885732471053912e-01 PASS
spack_foss-2022a_serial_omp -3.184088237669064e+02 -8.515144145349041e-11 -7.741040132135492e-01 PASS
spack_foss-2022a_serial_debug -3.184088237667331e+02 8.810729923425242e-11 8.009754475841130e-01 PASS
foss-2022a_omp -3.184088237669043e+02 -8.304823495564051e-11 -7.549839541421864e-01 PASS
eb_fosscuda-2022a -3.184088237669058e+02 -8.458300726488233e-11 -7.689364296807485e-01 PASS
intel-2022a_omp -3.184088237669050e+02 -8.373035598197021e-11 -7.611850543815474e-01 PASS
intel-2022b_impi -3.184088237669070e+02 -8.577671906095929e-11 -7.797883550996300e-01 PASS
intel-2022a_impi -3.184088237669048e+02 -8.355982572538778e-11 -7.596347793217071e-01 PASS
eb_fosscuda-2022a_mpi_omp -3.184088237669055e+02 -8.424194675171748e-11 -7.658358795610680e-01 PASS
cmake_foss_2022a_min_serial -3.184088237669067e+02 -8.543565854779445e-11 -7.766878049799496e-01 PASS
foss-2022a_mpi_omp -3.184088237668974e+02 -7.617018127348274e-11 -6.924561933952976e-01 PASS
eb_foss-2022b_libxc6 -3.184088237669022e+02 -8.100187187665142e-11 -7.363806534241039e-01 PASS
eb_foss-2022a -3.184088237669017e+02 -8.049028110690415e-11 -7.317298282445832e-01 PASS
eb_foss-2022a_debug -3.184088237669017e+02 -8.049028110690415e-11 -7.317298282445832e-01 PASS
intel-2022a_omp_impi -3.184088237669076e+02 -8.634515324956737e-11 -7.849559386324307e-01 PASS
eb_foss-2022a_mpi -3.184088237669089e+02 -8.765255188336596e-11 -7.968413807578724e-01 PASS
eb_foss-2022b_libxc6_mpi -3.184088237669047e+02 -8.344613888766617e-11 -7.586012626151470e-01 PASS
eb_foss-2022a_mpi_debug -3.184088237668933e+02 -7.207745511550456e-11 -6.552495919591325e-01 PASS