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Seg fault in afqmc run

Open pwang234 opened this issue 2 years ago • 1 comments

Describe the bug afqmc simulation seg faults origin_img_v2_731c80b5-1fbf-48f0-a493-d194d3d3019g

To Reproduce LLVM 12.0 and QMCPACK v3.14.

  1. Build the docker image from attached file.
  2. Go to sample path: cd qmcpack/examples/afqmc/01-neon_atom/
  3. Run afqmc, python scf.py > scf.out export PYTHONPATH=<qmcpack PATH>/utils/afqmctools:$PYTHONPATH <qmcpack PATH> /utils/afqmctools/bin/pyscf_to_afqmc.py -i scf.chk -o afqmc.h5 -t 1e-5 -v python gen_input.py qmcpack_complex afqmc.xml

Expected behavior Run without seg fault.

System:

Additional context

pwang234 avatar Apr 29 '22 16:04 pwang234

any update for this issue?

joyjoker2017 avatar Jun 07 '22 03:06 joyjoker2017

I got the same problem, so how to solve it?

qingmo-nscc-gz avatar Dec 13 '22 07:12 qingmo-nscc-gz