Error: [1]+ Segmentation fault (core dumped)

From: hgkrug1_at_gmail.com
Date: Tue Aug 30 2022 - 05:47:14 CDT

Dear All,

I am new to NAMD and I am doing the introduction tutorials from
https://www.ks.uiuc.edu/Training/Tutorials/namd/namd-tutorial-unix.pdf

I get this error for Point 1.4.2 Run your Simulation op page 24
(section 1-2-sphere):

$ namd2 ubq_ws_eq.conf > ubq_ws_eq.log &

$ ls
example-output rmsd.tcl ubq_ws_eq.conf ubq_ws_eq.log
ubq_ws_eq.log_old
[1]+ Segmentation fault (core dumped) /home/gert/NAMD_Git-2022-
07-21_Linux-x86_64-multicore-CUDA/namd2 +p12 ubq_ws_eq.conf >
ubq_ws_eq.log

Interestingly, the job for section 1-3-box (point 1.5.2
Run your Simulation on page 28) works well.

I attach both log files as a tar file.

>From a search on namd-l it seems the numberof cores could be a problem.
I tried 6 (same problem). 12 cores worked for section 1-3-box.

I have a Dell Inc. Vostro 3670 with a Intel® Core™ i7-8700 CPU @
3.20GHz × 12 processor and a NVIDIA GeForce GT 1030/PCIe/SSE2 / NVIDIA
Corporation GP108 GPU card.

I have Ubuntu 22.04 LTS installed. For NAMD I have used the binary
version NAMD_Git-2022-07-21_Linux-x86_64-multicore-CUDA.

Any advice will be much appreciated.
Thanks!
Gert Kruger


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