[Wien] WIENncm installation error

Safikul Islam safikul.physics1996 at gmail.com
Thu Dec 14 12:32:00 CET 2023 

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
3ae0420000-3ae0421000 r--p 00020000 08:02 6029314
/lib64/ld-2.12.so
3ae0421000-3ae0422000 rw-p 00021000 08:02 6029314
/lib64/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
3ae078b000-3ae098a000 ---p 0018b000 08:02 6045824
/lib64/libc-2.12.so
3ae098a000-3ae098e000 r--p 0018a000 08:02 6045824
/lib64/libc-2.12.so
3ae098e000-3ae0990000 rw-p 0018e000 08:02 6045824
/lib64/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
3ae0a02000-3ae0c02000 ---p 00002000 08:02 6029381
/lib64/libdl-2.12.so
3ae0c02000-3ae0c03000 r--p 00002000 08:02 6029381
/lib64/libdl-2.12.so
3ae0c03000-3ae0c04000 rw-p 00003000 08:02 6029381
/lib64/libdl-2.12.so
3ae1200000-3ae1283000 r-xp 00000000 08:02 6045825
/lib64/libm-2.12.so
3ae1283000-3ae1482000 ---p 00083000 08:02 6045825
/lib64/libm-2.12.so
3ae1482000-3ae1483000 r--p 00082000 08:02 6045825
/lib64/libm-2.12.so
3ae1483000-3ae1484000 rw-p 00083000 08:02 6045825
/lib64/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
3d6aa17000-3d6ac17000 ---p 00017000 08:02 6029317
/lib64/libpthread-2.12.so
3d6ac17000-3d6ac18000 r--p 00017000 08:02 6029317
/lib64/libpthread-2.12.so
3d6ac18000-3d6ac19000 rw-p 00018000 08:02 6029317
/lib64/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





On Sun, Nov 19, 2023 at 10:44 AM Safikul Islam <
safikul.physics1996 at gmail.com> wrote:

> Dear Sir,
>
>                Even though I have added the path for WIENncm the error
> persists. Here is my bashrc file. How will I add the path of  WEIN2k and
> WIENncm simultaneously?
>
> ......................................................................................................................................
> # added by WIEN2k: BEGIN
> # --------------------------------------------------------
> alias lsi="ls -aslp *.in*"
> alias lso="ls -aslp *.output*"
> alias lsd="ls -aslp *.def"
> alias lsc="ls -aslp *.clm*"
> alias lss="ls -aslp *.scf* */*.scf"
> alias lse="ls -aslp *.error"
> alias LS="ls -aslp | grep /"
> alias pslapw="ps -ef |grep "lapw""
> alias cdw="cd /home/19ph92r03/WIEN2k"
> export OMP_NUM_THREADS=1
> #export LD_LIBRARY_PATH=.....
> export EDITOR="gedit"
> export SCRATCH=./
> #export WIENROOT=/scratch/19ph92r03/safikul/wien2k
> export WIENROOT=/scratch/19ph92r03/safikul/WIENNCM/WIENNCM
> export W2WEB_CASE_BASEDIR=/home/19ph92r03/WIEN2k
> export STRUCTEDIT_PATH=$WIENROOT/SRC_structeditor/bin
> export PDFREADER=acroread
> export
> PATH=$WIENROOT:$STRUCTEDIT_PATH:$WIENROOT/SRC_IRelast/script-elastic:$PATH:.
> export OCTAVE_EXEC_PATH=${PATH}::
> export OCTAVE_PATH=${STRUCTEDIT_PATH}::
>
> export PATH=$PATH:$WIENROOT:.
> ulimit -s unlimited
> alias octave="octave -p $OCTAVE_PATH"
> # --- BERRYPI START ---
> export BERRYPI_PATH=$WIENROOT/SRC_BerryPI/BerryPI
> export BERRYPI_PYTHON=/usr/bin/python2.7
> alias berrypi="${BERRYPI_PYTHON} ${BERRYPI_PATH}/berrypi"
> # --- BERRYPI END ---
> # --------------------------------------------------------
> # added by WIEN2k: END
>
> ...........................................................................................................................................................
>
>
> with kind regards,
> Safikul Islam
>
>
>
>
>
>
>
>
> --
> *SAFIKUL ISLAM*
> [Ph.D Research Scholar]
> ---------------------------------------------------
> Department of Physics.
> Indian Institute of Technology,
> Kharagpur.
> West Bengal, India.
> *Pin Code*:- 721302.
> ---------------------------------------------------
> *Contact*:- 9832979985
>


-- 
*SAFIKUL ISLAM*
[Ph.D Research Scholar]
---------------------------------------------------
Department of Physics.
Indian Institute of Technology,
Kharagpur.
West Bengal, India.
*Pin Code*:- 721302.
---------------------------------------------------
*Contact*:- 9832979985
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