runtime error for 12 determinants wfn

[Vladimir_Konjkov]

Hello CASINO developers.

When I run dmc with 12 determinants I've got an issue with following message:

*** Error in `/home/vladimir/bin/CASINO/bin_qmc/linuxpc-gnu-parallel.konkov-work/opt/casino': corrupted size vs. prev_size: 0x000000000205c7e0 ***
======= Backtrace: =========
/lib/x86_64-linux-gnu/libc.so.6(+0x777e5)[0x7f79734637e5]
/lib/x86_64-linux-gnu/libc.so.6(+0x7e9dc)[0x7f797346a9dc]
/lib/x86_64-linux-gnu/libc.so.6(+0x81cde)[0x7f797346dcde]
/lib/x86_64-linux-gnu/libc.so.6(__libc_malloc+0x54)[0x7f7973470184]
/usr/lib/x86_64-linux-gnu/libgfortran.so.3(+0x1b285)[0x7f7973cf0285]
/usr/lib/x86_64-linux-gnu/libgfortran.so.3(+0xefdbc)[0x7f7973dc4dbc]
/usr/lib/x86_64-linux-gnu/libgfortran.so.3(+0xf07d3)[0x7f7973dc57d3]
/usr/lib/x86_64-linux-gnu/libgfortran.so.3(+0xe7172)[0x7f7973dbc172]
/usr/lib/x86_64-linux-gnu/libgfortran.so.3(_gfortran_st_open+0x20e)[0x7f7973dbc97e]
/home/vladimir/bin/CASINO/bin_qmc/linuxpc-gnu-parallel.konkov-work/opt/casino[0xb8def4]
/home/vladimir/bin/CASINO/bin_qmc/linuxpc-gnu-parallel.konkov-work/opt/casino[0x646a41]
/home/vladimir/bin/CASINO/bin_qmc/linuxpc-gnu-parallel.konkov-work/opt/casino[0x8fb80f]
/home/vladimir/bin/CASINO/bin_qmc/linuxpc-gnu-parallel.konkov-work/opt/casino[0x8bc2d2]
/home/vladimir/bin/CASINO/bin_qmc/linuxpc-gnu-parallel.konkov-work/opt/casino[0x40b71d]
/lib/x86_64-linux-gnu/libc.so.6(__libc_start_main+0xf0)[0x7f797340c830]
/home/vladimir/bin/CASINO/bin_qmc/linuxpc-gnu-parallel.konkov-work/opt/casino[0x40b779]
======= Memory map: ========
00400000-00ce8000 r-xp 00000000 08:01 1967598 /home/vladimir/bin/CASINO/bin_qmc/linuxpc-gnu-parallel.konkov-work/opt/casino
00ee7000-00ee8000 r--p 008e7000 08:01 1967598 /home/vladimir/bin/CASINO/bin_qmc/linuxpc-gnu-parallel.konkov-work/opt/casino
00ee8000-00eed000 rw-p 008e8000 08:01 1967598 /home/vladimir/bin/CASINO/bin_qmc/linuxpc-gnu-parallel.konkov-work/opt/casino
00eed000-00f6e000 rw-p 00000000 00:00 0

My input and output files in attachment.
I have no idea about the causes of the issue.
Thanks in advance for the corrected version of CASINO or my input file.

Best, Vladimir.

[Vladimir_Konjkov]

similar issue happens when multireference wfn defines in correlation.data in MDET section.

if Number of Gaussian primitives per primitive cell defined in gwfn.data (10 in my case) less than number of determinants (12 in my case) segmentation fault occurs in some threads of CASINO code (in 4 threads from 16 in my case).

Input and output attached.

[Pablo_Lopez_Rios]

Hi Vladimir,

I have located the allocation problem and will submit a fix soon to the main repository.

Thanks,
Pablo

[Vladimir_Konjkov]

Hi Vladimir,

I have located the allocation problem and will submit a fix soon to the main repository.

Thanks,
Pablo

I am glad that I am participating in the improvement of the CASINO program.
Have a great weekend.

Vladimir.

[Pablo_Lopez_Rios]

Hi Vladimir,

The fix is now in the distribution - let me know if things work sensibly now.

Pablo

[Vladimir_Konjkov]

Hi Vladimir,

The fix is now in the distribution - let me know if things work sensibly now.

Pablo

Hello Pablo. In version CASINO v2.13.619 (5 July 2017) this issue is no longer present.

Best, Vladimir.