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bug fix for data corruption https://github.com/nwchemgit/nwchem/issue… #2478

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bug fix for data corruption https://github.com/nwchemgit/nwchem/issue…

bug fix for data corruption https://github.com/nwchemgit/nwchem/issue… #2478

Run time

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Job Run time
build (build_openblas, 8, ubuntu-22.04, false, openmpi, MPI-TS, 13.2.1, tinyqmpw python, gfortran)
54m 27s
build (build_openblas, 8, ubuntu-22.04, false, openmpi, MPI-TS, 13.2.1, qmandpw qmd, gfortran)
55m 33s
build (build_openblas, 8, ubuntu-22.04, false, openmpi, MPI-TS, 13.2.1, tce, gfortran)
15m 20s
build (build_openblas, 8, ubuntu-22.04, false, mpich, MPI-TS, 13.2.1, tinyqmpw python, gfortran)
54m 56s
build (build_openblas, 8, ubuntu-22.04, false, mpich, MPI-TS, 13.2.1, qmandpw qmd, gfortran)
57m 20s
build (build_openblas, 8, ubuntu-22.04, false, mpich, MPI-TS, 13.2.1, tce, gfortran)
15m 29s
build (build_openblas, 8, macos-latest, false, openmpi, MPI-TS, 13.2.1, tinyqmpw python, gfortran)
31m 10s
build (build_openblas, 8, macos-latest, false, openmpi, MPI-TS, 13.2.1, qmandpw qmd, gfortran)
40m 4s
build (build_openblas, 8, macos-latest, false, openmpi, MPI-TS, 13.2.1, tce, gfortran)
15m 36s
build (build_openblas, 8, macos-latest, false, mpich, MPI-TS, 13.2.1, tce, gfortran)
16m 0s
build (build_openblas, 8, ubuntu-24.04-arm, false, openmpi, MPI-TS, 13.2.1, tinyqmpw python, gfor...
9m 3s
build (build_openblas, 8, ubuntu-24.04-arm, false, openmpi, MPI-TS, 13.2.1, qmandpw qmd, gfortran)
10m 50s
build (build_openblas, 8, ubuntu-24.04-arm, false, openmpi, MPI-TS, 13.2.1, tce, gfortran)
8m 18s
build (build_openblas, 8, ubuntu-24.04-arm, false, mpich, MPI-TS, 13.2.1, tce, gfortran)
8m 14s
build (ubuntu-latest, true, openmpi, MPI-TS, nwdft driver solvation, gfortran, libopenblas64-open...
37m 3s
build (ubuntu-22.04, true, openmpi, MPI-TS, xtb qmd driver solvation, gfortran-9, build_openblas,...
48m 7s
build (ubuntu-22.04, true, mpich, MPI-TS, xtb driver solvation, gfortran-11, build_openblas, 4, g...
49m 41s
build (ubuntu-22.04, true, openmpi, MPI-TS, xtb driver solvation, gfortran-9, build_openblas, 2, 1)
42m 8s
build (ubuntu-22.04, true, intel, MPI-TS, xtb driver solvation, ifx, build_openblas, 4, 2, 1)
52m 38s
build (ubuntu-22.04, true, intel, MPI-TS, xtb driver solvation, ifx, 2, 1)
44m 58s
build (ubuntu-22.04, true, mpich, MPI-TS, xtb driver solvation, nvfortran, 2, 1)
44m 59s
build (ubuntu-22.04, true, mpich, ARMCI, all, gfortran, build_openblas)
1h 5m 57s
build (ubuntu-latest, true, openmpi, GA_DEBIAN, all python, libopenblas-pthread-dev, gfortran, 4)
1h 30m 31s
build (ubuntu-22.04, true, mpich, MPI-TS, all, gfortran, internal, 4)
57m 26s
build (ubuntu-22.04, false, mpich, MPI-PR, tinyqmpw python, gfortran-11, gcc-11)
51m 3s
build (ubuntu-latest, false, mpich, MPI-TS, tce, gfortran-11, gcc-11)
14m 13s
build (ubuntu-22.04, true, mpich, MPI-TS, nwdft solvation driver, gfortran, internal, 8, gcc, -1)
8m 9s
build (ubuntu-latest, true, mpich, MPI-TS, qmandpw qmd, gfortran-11, gcc-11, -1)
56m 11s
build (ubuntu-22.04, true, mpich, MPI-TS, tinyqmpw python, amdflang, amdclang)
55m 10s
build (ubuntu-22.04, true, mpich, MPI-TS, tce, amdflang, amdclang)
16m 35s
build (ubuntu-latest, true, intel, MPI-PR, tinyqmpw python, ifx, 2)
54m 6s
build (ubuntu-22.04, true, build_mpich, MPI-TS, tinyqmpw python, nvfortran, gcc)
1h 0m 59s
build (ubuntu-latest, true, intel, SOCKETS, tce, ifx, 2)
15m 50s
build (ubuntu-latest, true, mpich, MPI-TS, tce, flang, clang)
21m 40s
build (ubuntu-latest, true, intel, MPI-PR, tinyqmpw python, ifx)
49m 16s
build (ubuntu-latest, true, intel, SOCKETS, tce, ifx)
15m 12s
build (ubuntu-22.04, true, intel, MPI-PR, tinyqmpw python, ifx, 2)
57m 17s
build (ubuntu-22.04, true, intel, SOCKETS, tce, ifx, 2)
18m 21s
build (ubuntu-22.04, true, openmpi, MPI-TS, tinyqmpw, gfortran, gcc, 1)
54m 20s
build (ubuntu-22.04, true, intel, MPI-TS, tinyqmpw, ifx, icx, 1)
1h 1m 39s
build (macos-latest, true, openmpi, MPI-TS, tinyqmpw, gfortran-12, 15.3, gcc, 1)
33m 51s
build (macos-15, true, openmpi, MPI-TS, tinyqmpw python, gfortran-13, 15.2, 1)
34m 13s
build (ubuntu-22.04, true, mpich, MPI-PT, nwdft solvation driver, gfortran-10, gcc-10, 1)
6m 57s
build (ubuntu-latest, true, build_mpich, MPI-TS, nwdft solvation driver, nvfortran, gcc, 1)
12m 18s
build (ubuntu-latest, true, intel, MPI-TS, nwdft solvation driver, ifx, icx, 1)
11m 49s
build (ubuntu-22.04, true, mpich, MPI-PR, tinyqmpw python, gfortran-10, gcc-10, 1)
51m 52s
build (macos-15, true, openmpi, MPI-PR, qmandpw qmd, gfortran-12, 15.0.1)
12m 38s
build (macos-latest, true, openmpi, MPI-PR, tce, gfortran-12, 15.4, gcc-12)
14m 25s
build (macos-latest, true, openmpi, MPI-TS, tinyqmpw, gfortran-12, 15.4, gcc-12)
36m 17s
build (macos-latest, true, openmpi, MPI-TS, tinyqmpw, gfortran-13, accelerate, 4)
40m 21s
build (ubuntu-22.04, true, mpich, MPI-TS, qmandpw qmd, gfortran-10, build_openblas, gcc-10, 2)
55m 55s
build (ubuntu-latest, true, intel, MPI-TS, qmandpw qmd, ifx, 2)
59m 22s
build (ubuntu-22.04, true, mpich, MPI-TS, qmandpw qmd, nvfortran, gcc, 2)
1h 4m 51s
build (ubuntu-22.04, true, mpich, MPI-TS, nwdft driver solvation mp2_grad mcscf ccsd rimp2 fcidum...
52m 54s
build (ubuntu-latest, true, openmpi, MPI-TS, nwdft driver solvation mp2_grad mcscf ccsd rimp2 fci...
47m 3s
build (ubuntu-latest, true, mpich, MPI-TS, nwdft driver solvation mp2_grad mcscf ccsd rimp2 fcidu...
52m 28s
build (ubuntu-latest, true, intel, MPI-TS, nwdft driver solvation mp2_grad mcscf ccsd rimp2 fcidu...
47m 47s
build (ubuntu-latest, true, mpich, MPI-TS, tinyqmpw, flang-new-20)
54m 43s
build (ubuntu-latest, true, mpich, MPI-TS, tinyqmpw, flang-new-19)
52m 59s
build (ubuntu-latest, true, mpich, MPI-TS, tinyqmpw, flang-new-18)
55m 36s
build (ubuntu-latest, true, openmpi, MPI-TS, nwdft driver solvation, gfortran, libopenblas64-pthr...
37m 13s
build (macos-latest, true, openmpi, MPI-TS, nwdft driver solvation, gfortran, brew_openblas, 4, gcc)
26m 7s
build (macos-latest, true, openmpi, MPI-TS, nwdft driver solvation, gfortran, brew_openblas, 4, gcc)
26m 25s
build (macos-15, true, openmpi, MPI-TS, nwdft driver solvation, gfortran, brew_openblas, 4, 15.0....
24m 10s
build (macos-latest, true, build_mpich, MPI-TS, nwdft driver solvation, gfortran-14, brew_openbla...
29m 1s
1d 17h 17m 4s