runtime error for 12 determinants wfn

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Vladimir_Konjkov
Posts: 138
Joined: Wed Apr 15, 2015 3:14 pm

runtime error for 12 determinants wfn

Post by 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.
Attachments
input.tgz
(5.86 KiB) Downloaded 771 times
In Soviet Russia Casino plays you.
Vladimir_Konjkov
Posts: 138
Joined: Wed Apr 15, 2015 3:14 pm

Re: runtime error for 12 determinants wfn

Post by 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.
Attachments
input_new.tgz
(3.24 KiB) Downloaded 753 times
In Soviet Russia Casino plays you.
Pablo_Lopez_Rios
Posts: 52
Joined: Thu Jan 30, 2014 1:25 am

Re: runtime error for 12 determinants wfn

Post by Pablo_Lopez_Rios »

Hi Vladimir,

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

Thanks,
Pablo
Hey there! I am using CASINO.
Vladimir_Konjkov
Posts: 138
Joined: Wed Apr 15, 2015 3:14 pm

Re: runtime error for 12 determinants wfn

Post by Vladimir_Konjkov »

Pablo_Lopez_Rios wrote: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.
In Soviet Russia Casino plays you.
Pablo_Lopez_Rios
Posts: 52
Joined: Thu Jan 30, 2014 1:25 am

Re: runtime error for 12 determinants wfn

Post by Pablo_Lopez_Rios »

Hi Vladimir,

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

Pablo
Hey there! I am using CASINO.
Vladimir_Konjkov
Posts: 138
Joined: Wed Apr 15, 2015 3:14 pm

Re: runtime error for 12 determinants wfn

Post by Vladimir_Konjkov »

Pablo_Lopez_Rios wrote: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.
In Soviet Russia Casino plays you.
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