Problems running VASP: crashes, internal errors, "wrong" results.
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dmitry_skachkov1
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#1
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by dmitry_skachkov1 » Thu Nov 07, 2024 3:21 am
VASP 6.4.3 installed with
openmpi/5.0.2:intel-oneapi-2024
cuda/12.6.0-560.28.03
It gives the error when building wavefunctions:
WAVECAR not read
WARNING: random wavefunctions but no delay for mixing, default for NELMDL
entering main loop
N E dE d eps ncg rms rms(c)
[r2x01:1613 :0:1613] Caught signal 11 (Segmentation fault: address not mapped to object at address 0x440000e0)
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henrique_miranda
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#2
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by henrique_miranda » Thu Nov 07, 2024 10:26 pm
It is very hard to give a suggestion from the limited information you shared.
Which makefile.include did you use?
Does VASP always crash for any input (INCAR,POSCAR,KPOINTS,POTCAR) or only for a specific input?