runtime error for 12 determinants wfn

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runtime error for 12 determinants wfn

Postby Vladimir_Konjkov » Fri Jun 30, 2017 1:18 pm

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
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Re: runtime error for 12 determinants wfn

Postby Vladimir_Konjkov » Sun Jul 02, 2017 7:06 am

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 123 times
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Posts: 124
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Re: runtime error for 12 determinants wfn

Postby Pablo_Lopez_Rios » Sun Jul 02, 2017 8:53 am

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.
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Re: runtime error for 12 determinants wfn

Postby Vladimir_Konjkov » Sun Jul 02, 2017 11:37 am

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 play you.
Vladimir_Konjkov
 
Posts: 124
Joined: Wed Apr 15, 2015 3:14 pm

Re: runtime error for 12 determinants wfn

Postby Pablo_Lopez_Rios » Tue Jul 04, 2017 7:28 pm

Hi Vladimir,

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

Pablo
Hey there! I am using CASINO.
Pablo_Lopez_Rios
 
Posts: 40
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Re: runtime error for 12 determinants wfn

Postby Vladimir_Konjkov » Thu Jul 06, 2017 1:14 pm

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 play you.
Vladimir_Konjkov
 
Posts: 124
Joined: Wed Apr 15, 2015 3:14 pm


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