That's an error message type that might not have a simple fix.
I don't recall ever pinpointing the exact version that WIENncm was based
on, but I found in my past post at [1] that I had narrowed it down to
about the 2006 release of WIEN2k version 6.4 or prior.
We used to have memory errors like that in the older versions of
WIEN2k. There is a good chance that the latest version of WIEN2k
contains source code that would probably fix that if is being caused by
a source code bug. Another possibility is that error could be caused by
the compiler. The 2013 Intel compiler you are using wouldn't have
existed back in 2006. Some of the WIEN2k source code I think had to be
changed to work more smoothly with newer versions of the Intel compilers
[2].
Unfortunately, I don't think we have found someone in the WIEN2k mailing
list yet that has been willing and able to take on the major effort that
would be needed to bring WIENncm up to the same base of the latest
WIEN2k version. The last mention about that might have been in the post
at [3]. You might recall that the WIENncm page at [4] states that
"support is very limited" and the above can hopefully provide some
insight on why that is.
[1]
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16337.html
[2]
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16588.html
[3]
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg20643.html
[4] http://www.wien2k.at/reg_user/ncm/
Respectively,
Gavin
WIEN2k user
On 12/14/2023 4:32 AM, Safikul Islam wrote:
Dear Sir,
I am writing to you regarding the calculations of
WIENncm examples. I am trying to do a test run of the given examples
(febcc,uo2_2k,uo2_3k,Mn3Sn). For example febcc it is working fine but
for other examples I am getting errors while running WIENncm. The
error is as follows.
Error:
runncm with /home/safikul_akd/WIENNCM/WIENNCM
in cycle 1 ETEST: 0 CTEST: 0
LAPW0 END
*** glibc detected *** /home/safikul_akd/WIENNCM/WIENNCM/lapw1c:
free(): invalid pointer: 0x0000000002ad6d90 ***
======= Backtrace: =========
/lib64/libc.so.6[0x3ae0675e5e]
/lib64/libc.so.6[0x3ae0678cad]
/home/safikul_akd/WIENNCM/WIENNCM/lapw1c[0x488e5c]
/home/safikul_akd/WIENNCM/WIENNCM/lapw1c[0x435b4b]
/home/safikul_akd/WIENNCM/WIENNCM/lapw1c[0x441788]
/home/safikul_akd/WIENNCM/WIENNCM/lapw1c[0x43036a]
/home/safikul_akd/WIENNCM/WIENNCM/lapw1c[0x403906]
/lib64/libc.so.6(__libc_start_main+0x100)[0x3ae061ed20]
/home/safikul_akd/WIENNCM/WIENNCM/lapw1c[0x4037d9]
======= Memory map: ========
00400000-00552000 r-xp 00000000 08:11 194416842
/home/safikul_akd/WIENNCM/WIENNCM/lapw1c
00752000-0075d000 rw-p 00152000 08:11 194416842
/home/safikul_akd/WIENNCM/WIENNCM/lapw1c
0075d000-00893000 rw-p 00000000 00:00 0
0277c000-03334000 rw-p 00000000 00:00 0 [heap]
3ae0200000-3ae0220000 r-xp 00000000 08:02 6029314
/lib64/ld-2.12.so <http://ld-2.12.so/>
3ae0420000-3ae0421000 r--p 00020000 08:02 6029314
/lib64/ld-2.12.so <http://ld-2.12.so/>
3ae0421000-3ae0422000 rw-p 00021000 08:02 6029314
/lib64/ld-2.12.so <http://ld-2.12.so/>
3ae0422000-3ae0423000 rw-p 00000000 00:00 0
3ae0600000-3ae078b000 r-xp 00000000 08:02 6045824
/lib64/libc-2.12.so <http://libc-2.12.so/>
3ae078b000-3ae098a000 ---p 0018b000 08:02 6045824
/lib64/libc-2.12.so <http://libc-2.12.so/>
3ae098a000-3ae098e000 r--p 0018a000 08:02 6045824
/lib64/libc-2.12.so <http://libc-2.12.so/>
3ae098e000-3ae0990000 rw-p 0018e000 08:02 6045824
/lib64/libc-2.12.so <http://libc-2.12.so/>
3ae0990000-3ae0994000 rw-p 00000000 00:00 0
3ae0a00000-3ae0a02000 r-xp 00000000 08:02 6029381
/lib64/libdl-2.12.so <http://libdl-2.12.so/>
3ae0a02000-3ae0c02000 ---p 00002000 08:02 6029381
/lib64/libdl-2.12.so <http://libdl-2.12.so/>
3ae0c02000-3ae0c03000 r--p 00002000 08:02 6029381
/lib64/libdl-2.12.so <http://libdl-2.12.so/>
3ae0c03000-3ae0c04000 rw-p 00003000 08:02 6029381
/lib64/libdl-2.12.so <http://libdl-2.12.so/>
3ae1200000-3ae1283000 r-xp 00000000 08:02 6045825
/lib64/libm-2.12.so <http://libm-2.12.so/>
3ae1283000-3ae1482000 ---p 00083000 08:02 6045825
/lib64/libm-2.12.so <http://libm-2.12.so/>
3ae1482000-3ae1483000 r--p 00082000 08:02 6045825
/lib64/libm-2.12.so <http://libm-2.12.so/>
3ae1483000-3ae1484000 rw-p 00083000 08:02 6045825
/lib64/libm-2.12.so <http://libm-2.12.so/>
3ae6200000-3ae6216000 r-xp 00000000 08:02 6045828
/lib64/libgcc_s-4.4.7-20120601.so.1
3ae6216000-3ae6415000 ---p 00016000 08:02 6045828
/lib64/libgcc_s-4.4.7-20120601.so.1
3ae6415000-3ae6416000 rw-p 00015000 08:02 6045828
/lib64/libgcc_s-4.4.7-20120601.so.1
3d6aa00000-3d6aa17000 r-xp 00000000 08:02 6029317
/lib64/libpthread-2.12.so <http://libpthread-2.12.so/>
3d6aa17000-3d6ac17000 ---p 00017000 08:02 6029317
/lib64/libpthread-2.12.so <http://libpthread-2.12.so/>
3d6ac17000-3d6ac18000 r--p 00017000 08:02 6029317
/lib64/libpthread-2.12.so <http://libpthread-2.12.so/>
3d6ac18000-3d6ac19000 rw-p 00018000 08:02 6029317
/lib64/libpthread-2.12.so <http://libpthread-2.12.so/>
3d6ac19000-3d6ac1d000 rw-p 00000000 00:00 0
2ac95f915000-2ac95f917000 rw-p 00000000 00:00 0
2ac95f917000-2ac95f9fc000 r-xp 00000000 08:02 2101679
/opt/intel/composer_xe_2013_sp1.2.144/compiler/lib/intel64/libiomp5.so
2ac95f9fc000-2ac95fbfc000 ---p 000e5000 08:02 2101679
/opt/intel/composer_xe_2013_sp1.2.144/compiler/lib/intel64/libiomp5.so
2ac95fbfc000-2ac95fc07000 rw-p 000e5000 08:02 2101679
/opt/intel/composer_xe_2013_sp1.2.144/compiler/lib/intel64/libiomp5.so
2ac95fc07000-2ac95fc2f000 rw-p 00000000 00:00 0
2ac95fc2f000-2ac960164000 r-xp 00000000 08:02 2119734
/opt/intel/composer_xe_2013_sp1.2.144/mkl/lib/intel64/libmkl_intel_lp64.so
2ac960164000-2ac960363000 ---p 00535000 08:02 2119734
/opt/intel/composer_xe_2013_sp1.2.144/mkl/lib/intel64/libmkl_intel_lp64.so
2ac960363000-2ac960365000 r--p 00534000 08:02 2119734
/opt/intel/composer_xe_2013_sp1.2.144/mkl/lib/intel64/libmkl_intel_lp64.so
2ac960365000-2ac960371000 rw-p 00536000 08:02 2119734
/opt/intel/composer_xe_2013_sp1.2.144/mkl/lib/intel64/libmkl_intel_lp64.so
2ac960371000-2ac960377000 rw-p 00000000 00:00 0
2ac960377000-2ac961022000 r-xp 00000000 08:02 2119752
/opt/intel/composer_xe_2013_sp1.2.144/mkl/lib/intel64/libmkl_intel_thread.so
2ac961022000-2ac961222000 ---p 00cab000 08:02 2119752
/opt/intel/composer_xe_2013_sp1.2.144/mkl/lib/intel64/libmkl_intel_thread.so
2ac961222000-2ac961223000 r--p 00cab000 08:02 2119752
/opt/intel/composer_xe_2013_sp1.2.144/mkl/lib/intel64/libmkl_intel_thread.so
2ac961223000-2ac96135d000 rw-p 00cac000 08:02 2119752
/opt/intel/composer_xe_2013_sp1.2.144/mkl/lib/intel64/libmkl_intel_thread.so
.....................................................................................................................................................................................................................................................................
Sir I request to you to please help me to sort out this problem.
Kind Regards,
Safikul Islam
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