Not a big surprise.
The routine pzheevr.f does not exist in Intels mkl from 2013.
You have to use a more recent ifort compiler.
The new oneAPI from Intel is free of charge.
Am 8/3/21 um 11:48 AM schrieb venky ch:
Dear Prof. Marks,
Thanks for your email and suggestions. I have updated the mpi compiler
and re-compiled the wien2k again. Although, the earlier problems seem to
be solved. However, I have another error as given below.
This is related to "seclit_par_tmp_.F:(.text+0x4755): undefined
reference to `pzheevr_'"
=========
mpiifort -O1 -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback
-assume buffered_io -I/opt/intel/composer_xe_2013.1.117/mkl/include
-I/home/proj/21/isuch/intel/compilers_and_libraries_2018.0.128/linux/mpi/intel64/include
-DParallel -c seclit_par_tmp_.F
mv seclit_par_tmp_.o seclit_par.o
rm seclit_par_tmp_.F
mpiifort -o ./lapw1c_mpi abc.o atpar.o bandv1.o calkpt.o cbcomb.o
charge.o coors.o cputim.o dblr2k.o dgeqrl.o dgewy.o dgewyg.o dlbrfg.o
dsbein1.o dscgst.o dstebz2.o dsyevx2.o dsyr2m.o dsyrb4.o dsyrb5l.o
dsyrdt4.o dsywyv.o dsyxev4.o dvbes1.o eisps.o errclr.o errflg.o
find_nloat.o forfhs.o gaunt.o gbass.o gtfnam.o hamilt.o hns.o horb.o
inikpt.o inilpw.o lapw1.o latgen.o lmsort.o locdef.o lohns.o lopw.o
matmm.o modules.o nn.o outerr.o outwinb.o ph.o prtkpt.o prtres.o
pzheevx16.o rdswar.o rint13.o rotate.o rotdef.o seclit.o seclr4.o
seclr5.o select.o service.o setkpt.o setwar.o sphbes.o stern.o SymmRot.o
tapewf.o t3j.o t3j0.o ustphx.o vectf.o warpin.o wfpnt.o wfpnt1.o ylm.o
zhcgst.o zheevx2.o zher2m.o jacdavblock.o make_albl.o global2local.o
par_syrk.o my_dsygst.o refblas_dtrsm.o seclit_par.o pdsyevx17.o
pdstebz17.o pdgetri_my.o pzgetri_my.o pdgetrf_my.o pzgetrf_my.o
W2kutils.o W2kinit.o -O1 -FR -mp1 -w -prec_div -pc80 -pad -ip
-DINTEL_VML -traceback -assume buffered_io
-I/opt/intel/composer_xe_2013.1.117/mkl/include
-I/home/proj/21/isuch/intel/compilers_and_libraries_2018.0.128/linux/mpi/intel64/include
-L/opt/intel/composer_xe_2013.1.117/mkl/lib/intel64 -lpthread -lm -ldl
-liomp5 -L/opt/intel/composer_xe_2013.1.117/mkl/lib/intel64
-lmkl_scalapack_lp64 -L/opt/intel/composer_xe_2013.1.117/mkl/lib/intel64
-lmkl_blacs_intelmpi_lp64 -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core
seclit_par.o: In function `seclit_par_':
seclit_par_tmp_.F:(.text+0x4755): undefined reference to `pzheevr_'
seclit_par_tmp_.F:(.text+0x4d80): undefined reference to `pzheevr_'
make[1]: *** [lapw1c_mpi] Error 1
make[1]: Leaving directory
`/home/proj/21/isuch/soft/wien2k_install/18/SRC_lapw1'
make: *** [cp] Error 2
==============
Thanks in advance
Venkatesh
Postdoctoral Fellow,
Instrumentation and Applied Physics Department
IISc Bangalore, India
On Thu, Jul 29, 2021 at 9:07 PM Laurence Marks <laurence.ma...@gmail.com
<mailto:laurence.ma...@gmail.com>> wrote:
See
https://www.google.com/search?q=locale%3A+Cannot+set+LC_CTYPE+to+default+locale%3A+No+such+file+or+directory
<https://www.google.com/search?q=locale%3A+Cannot+set+LC_CTYPE+to+default+locale%3A+No+such+file+or+directory>
1) If it is a cluster, ask the sys_admin
2) Reinstall/update your OS
3) Check your .bashrc and similar
4) Post to one of those lists. I know enough to know this is a
problem, but not enough to solve the issue. This is certainly not
the right list for help on this, it is an OS problem.
On Thu, Jul 29, 2021 at 10:25 AM venky ch <chvenkatesh...@gmail.com
<mailto:chvenkatesh...@gmail.com>> wrote:
Dear Prof. Marks,
thanks for your reply. I have searched in the internet and tried
to solve it. But yet it is not solved . Whenever I tried with "
export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/opt/glibc-2.14/build ",
there is an error as shown in below. Can you suggest me what are
steps to be followed to solve this issue. I am also requesting
wien2k users to help me to solve this issue.
thanks
venkatesh
=============
[isuch@delta-cluster ~]$ export
LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/opt/glibc-2.14/build
[isuch@delta-cluster ~]$ locale
locale: Cannot set LC_CTYPE to default locale: No such file or
directory
locale: Cannot set LC_MESSAGES to default locale: No such file
or directory
locale: Cannot set LC_ALL to default locale: No such file or
directory
LANG=en_US.UTF-8
LC_CTYPE="en_US.UTF-8"
LC_NUMERIC="en_US.UTF-8"
LC_TIME="en_US.UTF-8"
LC_COLLATE="en_US.UTF-8"
LC_MONETARY="en_US.UTF-8"
LC_MESSAGES="en_US.UTF-8"
LC_PAPER="en_US.UTF-8"
LC_NAME="en_US.UTF-8"
LC_ADDRESS="en_US.UTF-8"
LC_TELEPHONE="en_US.UTF-8"
LC_MEASUREMENT="en_US.UTF-8"
LC_IDENTIFICATION="en_US.UTF-8"
LC_ALL=en_US.UTF-8
[isuch@delta-cluster ~]$
/etc/environment is empty
/usr/bin contains locale
echo "en_US.UTF-8 UTF-8" > /etc/locale.gen
echo "fr_FR.UTF-8 UTF-8" >> /etc/locale.gen
locale-gen
but don't have the locale.gen file at /etc/
echo "LC_ALL=en_US.UTF-8" >> /etc/environment
echo "en_US.UTF-8 UTF-8" >> /etc/locale.gen
echo "LANG=en_US.UTF-8" > /etc/locale.conf
locale-gen en_US.UTF-8
but don't have the locale.conf file at /etc/
===========
On Thu, Jul 29, 2021 at 2:14 PM Laurence Marks
<laurence.ma...@gmail.com <mailto:laurence.ma...@gmail.com>> wrote:
You have serious problems with how your computer/cluster is
setup. These need to be resolved for Wien2k to work, and for
many other things as well.
The most obvious one is your locale, which you almost
certainly cannot cure by just using the -no-multibyte-chars
flag.
You can look it up, but briefly, most code is written for
the Latin alphabet which fits into 256 ASCII code, i.e 1
byte. Computers can use other alphabets, but these can
require more than one byte. This can work for some things,
but many others can fail. I very much doubt that Wien2k
(including the parts for w2web, python and others) will work
beyond English or similar languages (French, German etc). It
probably does not work with Russian, Japanese, Chinese or
Korean alphabets -- maybe someone can confirm. What language
is your computer set to?
I strongly suggest that you reset your computer/login to use
a Latin alphabet, when the LC_ALL issues should go away. In
the process you will probably update your OS, which will
probably solve the memcpy problem, which is perhaps due to
messed up gcc libraries although it might be other compile
options.
A partial response.
_____
Professor Laurence Marks
"Research is to see what everybody else has seen, and to
think what nobody else has thought", Albert Szent-Györgyi
www.numis.northwestern.edu <http://www.numis.northwestern.edu>
On Thu, Jul 29, 2021, 01:11 venkatesh chandragiri
<venkyphysicsi...@gmail.com
<mailto:venkyphysicsi...@gmail.com>> wrote:
Dear Wien2k users,
Recently, I got an opportunity to work with Wien2k after
a very long time. I have tried to compile the
Wien2k_21.1. At first, i tried to compile using old
ifort compilers and this leads to an error as given below
====
SRC_lapw0/compile.msg:lapw0.F(2370): error #6404: This
name does not have a type, and must have an explicit
type. [FINDLOC]
=====
Later, I have searched in the mailing-list and found
out that I need to use the latest ifort compilers to
compile the Wien2k.
Now, I tried to compile the Wien2k again using recent
ifort compilers. This leads to another kind of error as
given below
====
icc -c W2kutils.c
Catastrophic error: could not set locale "" to allow
processing of multibyte characters
compilation aborted for W2kutils.c (code 4)
make[1]: *** [W2kutils.o] Error 4
========
Again, I did a search on the website to bypass this
error using flag setting " -no-multibyte-chars " for
both ifort and icc. This time it gives only a
warning message as given below
=====
/bin/sh: warning: setlocale: LC_ALL: cannot change
locale (en_US.utf8)
/bin/sh: warning: setlocale: LC_ALL: cannot change
locale (en_US.utf8)
=====
Although, if one can neglect these warning messages,
there is an error in the compilation process in almost
all SRC_* directories as given below and I am unable to
find the details of it.
========
/home/pkg/lic/intel_parallel_studio_composer/2020/compilers_and_libraries_2020.0.166/linux/compiler/lib/intel64_lin/libintlc.so.5:
undefined reference to `memcpy@GLIBC_2.14'
make[1]: *** [nmrc_mpi] Error 1
======
Kindly help me to resolve this error as well as those
warning messages.
thanks
venkatesh
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--
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
www.numis.northwestern.edu <http://www.numis.northwestern.edu/>
"Research is to see what everybody else has seen, and to think what
nobody else has thought" Albert Szent-Györgyi
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--
Peter Blaha, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300 Email: peter.bl...@tuwien.ac.at
WWW: http://www.imc.tuwien.ac WIEN2k: http://www.wien2k.at
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