SIGSEGV segmentation fault after build of DL_POLY 4

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 ( 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)

Hi Julien,

without the inputs is difficult, please email the inputs to [email protected]


Without Questions there are no Answers!

Hi Julien,

your problem is the stack size.

ulimit -s unlimited before you run shall solve it.


Without Questions there are no Answers!