[Wien] errors @ wien2k_21.1 compilation

Tue Aug 3 11:48:20 CEST 2021

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.marks at 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
>
> 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 <chvenkateshphy at 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=$LD_LIBRARY_PATH:/opt/glibc-2.14/build ", there is an error
>> as shown in below. Can you suggest me what are steps to be followed to
>> solve this issue. I am also requesting wien2k users to help me to solve
>> this issue.
>>
>> thanks
>>
>> venkatesh
>> =============
>>
>> [isuch at delta-cluster ~]$ export
>> LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/opt/glibc-2.14/build
>> [isuch at delta-cluster ~]$ 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 at 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.marks at 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
>>>
>>> On Thu, Jul 29, 2021, 01:11 venkatesh chandragiri <
>>> venkyphysicsiitm at 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 at GLIBC_2.14'
>>>> make[1]: *** [nmrc_mpi] Error 1
>>>>
>>>> ======
>>>>
>>>> Kindly help me to resolve this error as well as those warning messages.
>>>>
>>>> thanks
>>>> venkatesh
>>>>
>>>> _______________________________________________
>>>> Wien mailing list
>>>> Wien at zeus.theochem.tuwien.ac.at
>>>>
>>>> https://urldefense.com/v3/__http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien__;!!Dq0X2DkFhyF93HkjWTBQKhk!GlvDr8a5j_OzBBtEZDLeeGx19MDcIwP10bYBsogvmUuP3dtsSw3oi-udxb22w-xBfU_01Q$
>>>> SEARCH the MAILING-LIST at:
>>>> https://urldefense.com/v3/__http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html__;!!Dq0X2DkFhyF93HkjWTBQKhk!GlvDr8a5j_OzBBtEZDLeeGx19MDcIwP10bYBsogvmUuP3dtsSw3oi-udxb22w-zoa2Hr1w$
>>>>
>>>
>
> --
> Professor Laurence Marks
> Department of Materials Science and Engineering
> Northwestern University
> 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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