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restoring 2-D GA based 2-nd derivatives code #1670

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restoring 2-D GA based 2-nd derivatives code

restoring 2-D GA based 2-nd derivatives code #1670

Run time

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Job Run time
build (build_openblas, 8, ubuntu-20.04, false, openmpi, MPI-TS, 13.2.1, tinyqmpw python, gfortran)
1h 15m 44s
build (build_openblas, 8, ubuntu-20.04, false, openmpi, MPI-TS, 13.2.1, qmandpw qmd, gfortran)
1h 41m 55s
build (build_openblas, 8, ubuntu-20.04, false, openmpi, MPI-TS, 13.2.1, tce, gfortran)
23m 14s
build (build_openblas, 8, ubuntu-20.04, false, mpich, MPI-TS, 13.2.1, tinyqmpw python, gfortran)
1h 44m 39s
build (build_openblas, 8, ubuntu-20.04, false, mpich, MPI-TS, 13.2.1, qmandpw qmd, gfortran)
1h 19m 50s
build (build_openblas, 8, ubuntu-20.04, false, mpich, MPI-TS, 13.2.1, tce, gfortran)
20m 38s
build (build_openblas, 8, macos-11, false, openmpi, MPI-TS, 13.2.1, tinyqmpw python, gfortran)
1h 16m 34s
build (build_openblas, 8, macos-11, false, openmpi, MPI-TS, 13.2.1, qmandpw qmd, gfortran)
1h 12m 24s
build (build_openblas, 8, macos-11, false, openmpi, MPI-TS, 13.2.1, tce, gfortran)
30m 55s
build (build_openblas, 8, macos-11, false, mpich, MPI-TS, 13.2.1, tce, gfortran)
1h 24m 11s
build (ubuntu-20.04, true, openmpi, MPI-TS, xtb qmd driver solvation, gfortran-9, build_openblas,...
1h 22m 1s
build (ubuntu-20.04, true, mpich, MPI-TS, xtb driver solvation, gfortran-11, build_openblas, 4, g...
1h 23m 18s
build (ubuntu-20.04, true, openmpi, MPI-TS, xtb driver solvation, gfortran-9, build_openblas, 2, 1)
1h 4m 51s
build (ubuntu-20.04, true, intel, MPI-TS, xtb driver solvation, ifort, build_openblas, 4, 2, 1)
1h 21m 20s
build (ubuntu-20.04, true, intel, MPI-TS, xtb driver solvation, ifort, 2, 1)
1h 3m 48s
build (ubuntu-20.04, true, mpich, MPI-TS, xtb driver solvation, nvfortran, 2, 1)
1h 37m 29s
build (ubuntu-20.04, true, mpich, ARMCI, all, gfortran, build_openblas)
1h 38m 16s
build (ubuntu-20.04, true, mpich, MPI-TS, all, gfortran, internal, 4)
1h 26m 57s
build (ubuntu-20.04, false, mpich, MPI-PR, tinyqmpw python, gfortran-11, gcc-11)
1h 31m 55s
build (ubuntu-22.04, false, mpich, MPI-TS, tce, gfortran-11, gcc-11)
24m 24s
build (ubuntu-20.04, true, mpich, MPI-TS, nwdft solvation driver, gfortran, internal, 8, gcc, -1)
10m 55s
build (ubuntu-22.04, true, mpich, MPI-TS, qmandpw qmd, gfortran-11, gcc-11, -1)
1h 35m 59s
build (ubuntu-20.04, true, mpich, MPI-TS, tinyqmpw python, amdflang, amdclang)
1h 40m 10s
build (ubuntu-20.04, true, mpich, MPI-TS, tce, amdflang, amdclang)
24m 56s
build (ubuntu-22.04, true, intel, MPI-PR, tinyqmpw python, ifort, 2)
1h 17m 50s
build (ubuntu-20.04, true, mpich, MPI-TS, tinyqmpw python, nvfortran, gcc)
1h 13m 50s
build (ubuntu-22.04, true, intel, SOCKETS, tce, ifort, 2)
31m 51s
build (ubuntu-22.04, true, mpich, MPI-TS, tce, flang, clang)
35m 50s
build (ubuntu-22.04, true, intel, MPI-PR, tinyqmpw python, ifort)
1h 19m 58s
build (ubuntu-22.04, true, intel, SOCKETS, tce, ifort)
29m 43s
build (ubuntu-20.04, true, intel, MPI-PR, tinyqmpw python, ifx, 2)
1h 18m 27s
build (ubuntu-20.04, true, mpich, MPI-PT, tinyqmpw python, ifort)
29m 25s
build (ubuntu-20.04, true, intel, SOCKETS, tce, ifx, 2)
34m 21s
build (ubuntu-20.04, true, openmpi, MPI-TS, tinyqmpw, gfortran, gcc, 1)
1h 16m 56s
build (ubuntu-20.04, true, intel, MPI-TS, tinyqmpw, ifort, icx, 1)
1h 30m 37s
build (macos-11, true, openmpi, MPI-TS, tinyqmpw, gfortran-10, gcc, 1)
1h 21m 18s
build (ubuntu-20.04, true, mpich, MPI-PT, nwdft solvation driver, gfortran-10, gcc-10, 1)
11m 28s
build (ubuntu-22.04, true, mpich, MPI-TS, nwdft solvation driver, nvfortran, gcc, 1)
20m 57s
build (ubuntu-22.04, true, intel, MPI-TS, nwdft solvation driver, ifort, icx, 1)
20m 1s
build (ubuntu-20.04, true, mpich, MPI-PR, tinyqmpw python, gfortran-10, gcc-10, 1)
1h 24m 24s
build (macos-11, true, openmpi, MPI-PR, qmandpw qmd, gfortran-10, gcc-10)
29m 32s
build (macos-12, true, openmpi, MPI-PR, tce, gfortran-11, 13.4.1, gcc-11)
36m 46s
build (macos-12, true, openmpi, MPI-TS, tinyqmpw, gfortran-11, 13.4.1)
1h 15m 56s
build (macos-11, true, openmpi, MPI-TS, tinyqmpw, gfortran-9, accelerate, 4)
1h 29m 56s
build (macos-12, true, mpich, MPI-PT, nwdft solvation driver, ifort, 14.0.1)
29m 29s
build (ubuntu-20.04, true, mpich, MPI-TS, qmandpw qmd, gfortran-10, build_openblas, gcc-10, 2)
1h 23m 48s
build (ubuntu-22.04, true, intel, MPI-TS, qmandpw qmd, ifort, 2)
2h 1m 38s
build (ubuntu-20.04, true, mpich, MPI-TS, qmandpw qmd, nvfortran, gcc, 2)
1h 29m 35s
build (ubuntu-22.04, true, mpich, MPI-TS, nwdft driver solvation mp2_grad mcscf ccsd rimp2 fcidum...
1h 15m 10s
build (ubuntu-22.04, true, openmpi, MPI-TS, nwdft driver solvation mp2_grad mcscf ccsd rimp2 fcid...
1h 30m 30s
build (ubuntu-22.04, true, mpich, MPI-TS, nwdft driver solvation mp2_grad mcscf ccsd rimp2 fcidum...
1h 12m 8s
build (ubuntu-22.04, true, intel, MPI-TS, nwdft driver solvation mp2_grad mcscf ccsd rimp2 fcidum...
1h 17m 32s
2d 8h 45m 19s