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fix and improve CCSD_T2_8 #516

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fix and improve CCSD_T2_8

fix and improve CCSD_T2_8 #516

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Job Run time
build (build_openblas, 8, ubuntu-20.04, false, openmpi, MPI-TS, 13.2.1, tinyqmpw python, gfortran)
51m 15s
build (build_openblas, 8, ubuntu-20.04, false, openmpi, MPI-TS, 13.2.1, qmandpw qmd, gfortran)
52m 13s
build (build_openblas, 8, ubuntu-20.04, false, openmpi, MPI-TS, 13.2.1, tce, gfortran)
14m 43s
build (build_openblas, 8, ubuntu-20.04, false, mpich, MPI-TS, 13.2.1, tinyqmpw python, gfortran)
50m 51s
build (build_openblas, 8, ubuntu-20.04, false, mpich, MPI-TS, 13.2.1, qmandpw qmd, gfortran)
52m 35s
build (build_openblas, 8, ubuntu-20.04, false, mpich, MPI-TS, 13.2.1, tce, gfortran)
14m 59s
build (build_openblas, 8, macos-latest, false, openmpi, MPI-TS, 13.2.1, tinyqmpw python, gfortran)
34m 14s
build (build_openblas, 8, macos-latest, false, openmpi, MPI-TS, 13.2.1, qmandpw qmd, gfortran)
33m 3s
build (build_openblas, 8, macos-latest, false, openmpi, MPI-TS, 13.2.1, tce, gfortran)
14m 12s
build (build_openblas, 8, macos-latest, false, mpich, MPI-TS, 13.2.1, tce, gfortran)
13m 35s
build (ubuntu-22.04, true, openmpi, MPI-TS, nwdft driver solvation, gfortran, libopenblas64-openm...
36m 54s
build (ubuntu-20.04, true, openmpi, MPI-TS, xtb qmd driver solvation, gfortran-9, build_openblas,...
45m 40s
build (ubuntu-20.04, true, mpich, MPI-TS, xtb driver solvation, gfortran-11, build_openblas, 4, g...
49m 0s
build (ubuntu-20.04, true, openmpi, MPI-TS, xtb driver solvation, gfortran-9, build_openblas, 2, 1)
40m 25s
build (ubuntu-20.04, true, intel, MPI-TS, xtb driver solvation, ifort, build_openblas, 4, 2, 1)
53m 1s
build (ubuntu-20.04, true, intel, MPI-TS, xtb driver solvation, ifort, 2, 1)
44m 40s
build (ubuntu-20.04, true, mpich, MPI-TS, xtb driver solvation, nvfortran, 2, 1)
43m 34s
build (ubuntu-20.04, true, mpich, ARMCI, all, gfortran, build_openblas)
54m 20s
build (ubuntu-latest, true, openmpi, GA_DEBIAN, all python, libopenblas-pthread-dev, gfortran, 4)
1h 30m 35s
build (ubuntu-20.04, true, mpich, MPI-TS, all, gfortran, internal, 4)
56m 13s
build (ubuntu-20.04, false, mpich, MPI-PR, tinyqmpw python, gfortran-11, gcc-11)
49m 56s
build (ubuntu-22.04, false, mpich, MPI-TS, tce, gfortran-11, gcc-11)
15m 18s
build (ubuntu-20.04, true, mpich, MPI-TS, nwdft solvation driver, gfortran, internal, 8, gcc, -1)
8m 14s
build (ubuntu-22.04, true, mpich, MPI-TS, qmandpw qmd, gfortran-11, gcc-11, -1)
54m 31s
build (ubuntu-20.04, true, mpich, MPI-TS, tinyqmpw python, amdflang, amdclang)
51m 14s
build (ubuntu-20.04, true, mpich, MPI-TS, tce, amdflang, amdclang)
16m 12s
build (ubuntu-22.04, true, intel, MPI-PR, tinyqmpw python, ifort, 2)
1h 3m 50s
build (ubuntu-20.04, true, mpich, MPI-TS, tinyqmpw python, nvfortran, gcc)
54m 21s
build (ubuntu-22.04, true, intel, SOCKETS, tce, ifort, 2)
30m 19s
build (ubuntu-22.04, true, mpich, MPI-TS, tce, flang, clang)
22m 21s
build (ubuntu-22.04, true, intel, MPI-PR, tinyqmpw python, ifort)
58m 23s
build (ubuntu-22.04, true, intel, SOCKETS, tce, ifort)
30m 14s
build (ubuntu-20.04, true, intel, MPI-PR, tinyqmpw python, ifx, 2)
53m 24s
build (ubuntu-20.04, true, intel, SOCKETS, tce, ifx, 2)
16m 39s
build (ubuntu-20.04, true, openmpi, MPI-TS, tinyqmpw, gfortran, gcc, 1)
51m 46s
build (ubuntu-20.04, true, intel, MPI-TS, tinyqmpw, ifort, icx, 1)
1h 0m 21s
build (macos-latest, true, openmpi, MPI-TS, tinyqmpw, gfortran-12, 15.3, gcc, 1)
34m 19s
build (macos-15, true, openmpi, MPI-TS, tinyqmpw python, gfortran-13, 15.2, 1)
31m 48s
build (ubuntu-20.04, true, mpich, MPI-PT, nwdft solvation driver, gfortran-10, gcc-10, 1)
7m 11s
build (ubuntu-22.04, true, mpich, MPI-TS, nwdft solvation driver, nvfortran, gcc, 1)
13m 30s
build (ubuntu-22.04, true, intel, MPI-TS, nwdft solvation driver, ifort, icx, 1)
17m 33s
build (ubuntu-20.04, true, mpich, MPI-PR, tinyqmpw python, gfortran-10, gcc-10, 1)
50m 59s
build (macos-15, true, openmpi, MPI-PR, qmandpw qmd, gfortran-12, 15.0.1)
12m 51s
build (macos-latest, true, openmpi, MPI-PR, tce, gfortran-12, 15.4, gcc-12)
12m 45s
build (macos-latest, true, openmpi, MPI-TS, tinyqmpw, gfortran-12, 15.4, gcc-12)
33m 28s
build (macos-latest, true, openmpi, MPI-TS, tinyqmpw, gfortran-13, accelerate, 4)
43m 50s
build (ubuntu-20.04, true, mpich, MPI-TS, qmandpw qmd, gfortran-10, build_openblas, gcc-10, 2)
53m 43s
build (ubuntu-22.04, true, intel, MPI-TS, qmandpw qmd, ifort, 2)
1h 8m 23s
build (ubuntu-20.04, true, mpich, MPI-TS, qmandpw qmd, nvfortran, gcc, 2)
56m 48s
build (ubuntu-22.04, true, mpich, MPI-TS, nwdft driver solvation mp2_grad mcscf ccsd rimp2 fcidum...
50m 30s
build (ubuntu-22.04, true, openmpi, MPI-TS, nwdft driver solvation mp2_grad mcscf ccsd rimp2 fcid...
45m 10s
build (ubuntu-22.04, true, mpich, MPI-TS, nwdft driver solvation mp2_grad mcscf ccsd rimp2 fcidum...
48m 51s
build (ubuntu-22.04, true, intel, MPI-TS, nwdft driver solvation mp2_grad mcscf ccsd rimp2 fcidum...
47m 1s
build (ubuntu-22.04, true, mpich, MPI-TS, tinyqmpw, flang-new-20)
4m 51s
build (ubuntu-22.04, true, mpich, MPI-TS, tinyqmpw, flang-new-19)
54m 20s
build (ubuntu-latest, true, mpich, MPI-TS, tinyqmpw, flang-new-18)
52m 41s
build (ubuntu-22.04, true, openmpi, MPI-TS, nwdft driver solvation, gfortran, libopenblas64-pthre...
36m 43s
build (macos-latest, true, openmpi, MPI-TS, nwdft driver solvation, gfortran, brew_openblas, 4, gcc)
23m 39s
build (macos-latest, true, openmpi, MPI-TS, nwdft driver solvation, gfortran, brew_openblas, 4, gcc)
25m 6s
build (macos-15, true, openmpi, MPI-TS, nwdft driver solvation, gfortran, brew_openblas, 4, 15.0....
24m 44s
build (macos-latest, true, build_mpich, MPI-TS, nwdft driver solvation, gfortran-14, brew_openbla...
29m 59s
1d 15h 23m 48s