Dear DL_POLY users,
I just downloaded a copy of the DL_POLY code v 4.10.0 on my office computer. I followed the instructions of the CCP5 website to build it (https://ccp5.gitlab.io/dlpoly-setup/setup.html). However when attempting to run any job, it crashes with the following error message in the console, regardless of which input files I use:
Program received signal SIGSEGV: Segmentation fault - invalid memory reference.
Backtrace for this error:
#0 0x7f320d1db2da in ???
#1 0x7f320d1da503 in ???
#2 0x7f320c83ef1f in ???
#3 0x7ffff50823b0 in ???
Segmentation fault (core dumped)
I tried to build it with different options, including a serial version (-DWITH_MPI=OFF). Although the build in itself doesn’t produce any error, the same problem is always observed upon running a job. The code does produce an output, which I attached (it seems that the OUTPUT corresponds to the parsing of the CONTROL file and stops before actual calculations begin, without any relevant error message). When run with the GUI, the error message does not show up, but the OUTPUT file stops at the same point, suggesting the same crash. Also, I note that I had mistakenly installed DLPOLY Classic before, and I could run it without any apparent problem on this same machine, though I did not test it much.
Since this problem might be machine-specific, I mention that my PC is a windows so I am using the Ubuntu sub-system for windows. Also, if it is of any help, here is the output of ulimit –a
core file size (blocks, -c) 0
data seg size (kbytes, -d) unlimited
scheduling priority (-e) 0
file size (blocks, -f) unlimited
pending signals (-i) 7823
max locked memory (kbytes, -l) 64
max memory size (kbytes, -m) unlimited
open files (-n) 1024
pipe size (512 bytes, -p) 8
POSIX message queues (bytes, -q) 819200
real-time priority (-r) 0
stack size (kbytes, -s) 8192
cpu time (seconds, -t) unlimited
max user processes (-u) 7823
virtual memory (kbytes, -v) unlimited
file locks (-x) unlimited
What should I do to solve the problem?
Thank you in advance,
OUTPUT.txt (4.2 KB)