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> 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 <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> >> 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 < >>> 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 >>>> >>>> _______________________________________________ >>>> Wien mailing list >>>> Wien@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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