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Add batched dgemm to CCSD(T) for openmp offload and openacc implementations #2098

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Add batched dgemm to CCSD(T) for openmp offload and openacc implementations

Add batched dgemm to CCSD(T) for openmp offload and openacc implementations #2098

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Job Run time
build (build_openblas, 8, ubuntu-20.04, false, openmpi, MPI-TS, 13.2.1, tinyqmpw python, gfortran)
50m 32s
build (build_openblas, 8, ubuntu-20.04, false, openmpi, MPI-TS, 13.2.1, qmandpw qmd, gfortran)
52m 0s
build (build_openblas, 8, ubuntu-20.04, false, openmpi, MPI-TS, 13.2.1, tce, gfortran)
13m 4s
build (build_openblas, 8, ubuntu-20.04, false, mpich, MPI-TS, 13.2.1, tinyqmpw python, gfortran)
50m 40s
build (build_openblas, 8, ubuntu-20.04, false, mpich, MPI-TS, 13.2.1, qmandpw qmd, gfortran)
53m 20s
build (build_openblas, 8, ubuntu-20.04, false, mpich, MPI-TS, 13.2.1, tce, gfortran)
14m 46s
build (build_openblas, 8, macos-latest, false, openmpi, MPI-TS, 13.2.1, tinyqmpw python, gfortran)
32m 6s
build (build_openblas, 8, macos-latest, false, openmpi, MPI-TS, 13.2.1, qmandpw qmd, gfortran)
34m 58s
build (build_openblas, 8, macos-latest, false, openmpi, MPI-TS, 13.2.1, tce, gfortran)
13m 26s
build (build_openblas, 8, macos-latest, false, mpich, MPI-TS, 13.2.1, tce, gfortran)
18m 5s
build (ubuntu-22.04, true, openmpi, MPI-TS, nwdft driver solvation, gfortran, libopenblas64-openm...
35m 16s
build (ubuntu-20.04, true, openmpi, MPI-TS, xtb qmd driver solvation, gfortran-9, build_openblas,...
45m 37s
build (ubuntu-20.04, true, mpich, MPI-TS, xtb driver solvation, gfortran-11, build_openblas, 4, g...
47m 7s
build (ubuntu-20.04, true, openmpi, MPI-TS, xtb driver solvation, gfortran-9, build_openblas, 2, 1)
40m 6s
build (ubuntu-20.04, true, intel, MPI-TS, xtb driver solvation, ifort, build_openblas, 4, 2, 1)
58m 13s
build (ubuntu-20.04, true, intel, MPI-TS, xtb driver solvation, ifort, 2, 1)
49m 41s
build (ubuntu-20.04, true, mpich, MPI-TS, xtb driver solvation, nvfortran, 2, 1)
43m 9s
build (ubuntu-20.04, true, mpich, ARMCI, all, gfortran, build_openblas)
55m 1s
build (ubuntu-latest, true, openmpi, GA_DEBIAN, all python, libopenblas-pthread-dev, gfortran, 4)
1h 32m 30s
build (ubuntu-20.04, true, mpich, MPI-TS, all, gfortran, internal, 4)
55m 26s
build (ubuntu-20.04, false, mpich, MPI-PR, tinyqmpw python, gfortran-11, gcc-11)
49m 13s
build (ubuntu-22.04, false, mpich, MPI-TS, tce, gfortran-11, gcc-11)
15m 4s
build (ubuntu-20.04, true, mpich, MPI-TS, nwdft solvation driver, gfortran, internal, 8, gcc, -1)
7m 11s
build (ubuntu-22.04, true, mpich, MPI-TS, qmandpw qmd, gfortran-11, gcc-11, -1)
54m 36s
build (ubuntu-20.04, true, mpich, MPI-TS, tinyqmpw python, amdflang, amdclang)
51m 17s
build (ubuntu-20.04, true, mpich, MPI-TS, tce, amdflang, amdclang)
15m 44s
build (ubuntu-22.04, true, intel, MPI-PR, tinyqmpw python, ifort, 2)
1h 6m 26s
build (ubuntu-20.04, true, mpich, MPI-TS, tinyqmpw python, nvfortran, gcc)
55m 3s
build (ubuntu-22.04, true, intel, SOCKETS, tce, ifort, 2)
33m 16s
build (ubuntu-22.04, true, mpich, MPI-TS, tce, flang, clang)
22m 13s
build (ubuntu-22.04, true, intel, MPI-PR, tinyqmpw python, ifort)
1h 1m 25s
build (ubuntu-22.04, true, intel, SOCKETS, tce, ifort)
34m 5s
build (ubuntu-20.04, true, intel, MPI-PR, tinyqmpw python, ifx, 2)
56m 53s
build (ubuntu-20.04, true, mpich, MPI-PT, tinyqmpw python, ifort)
25m 29s
build (ubuntu-20.04, true, intel, SOCKETS, tce, ifx, 2)
20m 8s
build (ubuntu-20.04, true, openmpi, MPI-TS, tinyqmpw, gfortran, gcc, 1)
50m 45s
build (ubuntu-20.04, true, intel, MPI-TS, tinyqmpw, ifort, icx, 1)
1h 7m 4s
build (macos-latest, true, openmpi, MPI-TS, tinyqmpw, gfortran-11, 15.3, gcc, 1)
33m 45s
build (macos-14, true, openmpi, MPI-TS, tinyqmpw python, gfortran-13, 15.2, 1)
30m 58s
build (ubuntu-20.04, true, mpich, MPI-PT, nwdft solvation driver, gfortran-10, gcc-10, 1)
7m 13s
build (ubuntu-22.04, true, mpich, MPI-TS, nwdft solvation driver, nvfortran, gcc, 1)
13m 0s
build (ubuntu-22.04, true, intel, MPI-TS, nwdft solvation driver, ifort, icx, 1)
18m 37s
build (ubuntu-20.04, true, mpich, MPI-PR, tinyqmpw python, gfortran-10, gcc-10, 1)
50m 9s
build (macos-14, true, openmpi, MPI-PR, qmandpw qmd, gfortran-12, 15.0.1)
12m 16s
build (macos-latest, true, openmpi, MPI-PR, tce, gfortran-11, 15.4, gcc-11)
11m 35s
build (macos-latest, true, openmpi, MPI-TS, tinyqmpw, gfortran-11, 15.4, gcc-11)
30m 52s
build (macos-latest, true, openmpi, MPI-TS, tinyqmpw, gfortran-13, accelerate, 4)
38m 0s
build (macos-12, true, mpich, MPI-PT, nwdft solvation driver, ifort, 15.4)
24m 47s
build (ubuntu-20.04, true, mpich, MPI-TS, qmandpw qmd, gfortran-10, build_openblas, gcc-10, 2)
54m 15s
build (ubuntu-22.04, true, intel, MPI-TS, qmandpw qmd, ifort, 2)
1h 14m 38s
build (ubuntu-20.04, true, mpich, MPI-TS, qmandpw qmd, nvfortran, gcc, 2)
57m 44s
build (ubuntu-22.04, true, mpich, MPI-TS, nwdft driver solvation mp2_grad mcscf ccsd rimp2 fcidum...
49m 40s
build (ubuntu-22.04, true, openmpi, MPI-TS, nwdft driver solvation mp2_grad mcscf ccsd rimp2 fcid...
46m 19s
build (ubuntu-22.04, true, mpich, MPI-TS, nwdft driver solvation mp2_grad mcscf ccsd rimp2 fcidum...
49m 25s
build (ubuntu-22.04, true, intel, MPI-TS, nwdft driver solvation mp2_grad mcscf ccsd rimp2 fcidum...
55m 18s
build (ubuntu-22.04, true, mpich, MPI-TS, tinyqmpw, flang-new-19)
52m 9s
build (ubuntu-latest, true, mpich, MPI-TS, tinyqmpw, flang-new-18)
52m 47s
build (ubuntu-22.04, true, openmpi, MPI-TS, nwdft driver solvation, gfortran, libopenblas64-pthre...
36m 3s
build (macos-latest, true, openmpi, MPI-TS, nwdft driver solvation, gfortran, brew_openblas, 4, gcc)
26m 50s
build (macos-14, true, openmpi, MPI-TS, nwdft driver solvation, gfortran, brew_openblas, 4, 15.0....
25m 0s
1d 15h 52m 15s