Comments (1)
I fixed it by #424
from salmon2.
Related Issues (16)
- "Infinity" and abnormally large values are printed in the output file of GS calculation HOT 1
- Compiler option "-check all" causes wrong GS calculation. HOT 2
- Segmentation fault if we specify 68 cores (omp_thread) on ofp computer HOT 4
- Orbital parallelization HOT 2
- Calculations sometimes give different (wrong) results (a little but not ignorable) HOT 1
- Geometry optimization does not work HOT 1
- Fluctuation of results caused by new checkpoint/restart HOT 1
- Tests 101-131 failed with `--disable-mpi` HOT 3
- GCC 4.8.5 + MPI: tests 203 and 204 crashed. HOT 1
- GCC 4.8.5 fails test 131. HOT 1
- FFTE gives wrong total energy HOT 4
- GS calculation with symmetry HOT 1
- dft_k_expand option does not work on Fugaku
- add topics
- SALMON with GPU (invalid device symbol)
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from salmon2.