Problems running VASP: crashes, internal errors, "wrong" results.
Moderators: Global Moderator, Moderator
-
dmitry_skachkov1
- Newbie
- Posts: 1
- Joined: Fri Oct 28, 2022 7:03 pm
#1
Post
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)
-
henrique_miranda
- Global Moderator
- Posts: 506
- Joined: Mon Nov 04, 2019 12:41 pm
-
Contact:
#2
Post
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?