<div dir="ltr">Dear Prof. Marks,<br><div>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. </div><div><br></div><div>This is related to "seclit_par_tmp_.F:(.text+0x4755): undefined reference to `pzheevr_'"</div><div><br></div><div>=========</div><div><br></div><div>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<br>mv seclit_par_tmp_.o seclit_par.o<br>rm seclit_par_tmp_.F<br>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<br>seclit_par.o: In function `seclit_par_':<br>seclit_par_tmp_.F:(.text+0x4755): undefined reference to `pzheevr_'<br>seclit_par_tmp_.F:(.text+0x4d80): undefined reference to `pzheevr_'<br>make[1]: *** [lapw1c_mpi] Error 1<br>make[1]: Leaving directory `/home/proj/21/isuch/soft/wien2k_install/18/SRC_lapw1'<br>make: *** [cp] Error 2<br></div><div><br></div><div>==============</div><div><br></div><div>Thanks in advance</div><div><br></div><div>Venkatesh</div><div>Postdoctoral Fellow, </div><div>Instrumentation and Applied Physics Department</div><div>IISc Bangalore, India</div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Thu, Jul 29, 2021 at 9:07 PM Laurence Marks <<a href="mailto:laurence.marks@gmail.com">laurence.marks@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="ltr"><div class="gmail_default" style="font-family:verdana,sans-serif;color:rgb(0,0,0)">See <a href="https://www.google.com/search?q=locale%3A+Cannot+set+LC_CTYPE+to+default+locale%3A+No+such+file+or+directory" target="_blank">https://www.google.com/search?q=locale%3A+Cannot+set+LC_CTYPE+to+default+locale%3A+No+such+file+or+directory</a></div><div class="gmail_default" style="font-family:verdana,sans-serif;color:rgb(0,0,0)"><br></div><div class="gmail_default" style="font-family:verdana,sans-serif;color:rgb(0,0,0)">1) If it is a cluster, ask the sys_admin</div><div class="gmail_default" style="font-family:verdana,sans-serif;color:rgb(0,0,0)">2) Reinstall/update your OS</div><div class="gmail_default" style="font-family:verdana,sans-serif;color:rgb(0,0,0)">3) Check your .bashrc and similar</div><div class="gmail_default" style="font-family:verdana,sans-serif;color:rgb(0,0,0)">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.</div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Thu, Jul 29, 2021 at 10:25 AM venky ch <<a href="mailto:chvenkateshphy@gmail.com" target="_blank">chvenkateshphy@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="ltr"><br><div>Dear Prof. Marks,</div><div><br></div><div>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=$LD_LIBRARY_PATH:/opt/glibc-2.14/build ", there is an error as shown in below. Can you suggest me what are steps to be followed to solve this issue. I am also requesting wien2k users to help me to solve this issue.</div><div><br></div><div>thanks</div><div><br></div><div>venkatesh</div><div>=============</div><div><br></div><div>[isuch@delta-cluster ~]$ export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/opt/glibc-2.14/build<br>[isuch@delta-cluster ~]$ locale<br>locale: Cannot set LC_CTYPE to default locale: No such file or directory<br>locale: Cannot set LC_MESSAGES to default locale: No such file or directory<br>locale: Cannot set LC_ALL to default locale: No such file or directory<br>LANG=en_US.UTF-8<br>LC_CTYPE="en_US.UTF-8"<br>LC_NUMERIC="en_US.UTF-8"<br>LC_TIME="en_US.UTF-8"<br>LC_COLLATE="en_US.UTF-8"<br>LC_MONETARY="en_US.UTF-8"<br>LC_MESSAGES="en_US.UTF-8"<br>LC_PAPER="en_US.UTF-8"<br>LC_NAME="en_US.UTF-8"<br>LC_ADDRESS="en_US.UTF-8"<br>LC_TELEPHONE="en_US.UTF-8"<br>LC_MEASUREMENT="en_US.UTF-8"<br>LC_IDENTIFICATION="en_US.UTF-8"<br>LC_ALL=en_US.UTF-8<br>[isuch@delta-cluster ~]$<br><br><br> /etc/environment is empty<br> <br> /usr/bin contains locale<br> <br> <br><br>echo "en_US.UTF-8 UTF-8" > /etc/locale.gen<br>echo "fr_FR.UTF-8 UTF-8" >> /etc/locale.gen<br>locale-gen<br><br>but don't have the locale.gen file at /etc/<br><br><br><br><br>echo "LC_ALL=en_US.UTF-8" >> /etc/environment<br>echo "en_US.UTF-8 UTF-8" >> /etc/locale.gen<br>echo "LANG=en_US.UTF-8" > /etc/locale.conf<br>locale-gen en_US.UTF-8<br><br><br>but don't have the locale.conf file at /etc/<br></div><div><br></div><div><br></div><div>===========</div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Thu, Jul 29, 2021 at 2:14 PM Laurence Marks <<a href="mailto:laurence.marks@gmail.com" target="_blank">laurence.marks@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="auto"><div>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.<div dir="auto"><br></div><div dir="auto">The most obvious one is your locale, which you almost certainly cannot cure by just using the <span style="font-family:sans-serif">-no-multibyte-chars flag.</span><br><div dir="auto"><br></div><div dir="auto">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?</div><div dir="auto"><br></div><div dir="auto">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 <span style="font-family:sans-serif">memcpy problem, which is perhaps due to messed up gcc libraries although it might be other compile options.</span></div><div dir="auto"><span style="font-family:sans-serif"><br></span></div><div dir="auto"><span style="font-family:sans-serif">A partial response.</span></div><div dir="auto"><br><div dir="auto">_____<br>Professor Laurence Marks<br>"Research is to see what everybody else has seen, and to think what nobody else has thought", Albert Szent-Györgyi<br><a href="http://www.numis.northwestern.edu" rel="noreferrer" target="_blank">www.numis.northwestern.edu</a></div></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Thu, Jul 29, 2021, 01:11 venkatesh chandragiri <<a href="mailto:venkyphysicsiitm@gmail.com" rel="noreferrer" target="_blank">venkyphysicsiitm@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="ltr">Dear Wien2k users,<div><br></div><div>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</div><div><br></div><div>====</div><div>SRC_lapw0/compile.msg:lapw0.F(2370): error #6404: This name does not have a type, and must have an explicit type. [FINDLOC]</div><div>=====</div><div>Later, I have searched in the mailing-list and found out that I need to use the latest ifort compilers to compile the Wien2k.</div><div><br></div><div>Now, I tried to compile the Wien2k again using recent ifort compilers. This leads to another kind of error as given below</div><div><br></div><div>====</div><div>icc -c W2kutils.c<br>Catastrophic error: could not set locale "" to allow processing of multibyte characters<br><br>compilation aborted for W2kutils.c (code 4)<br>make[1]: *** [W2kutils.o] Error 4<br></div><div><br></div><div>========</div><div><br></div><div>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 </div><div>=====<br></div><div>/bin/sh: warning: setlocale: LC_ALL: cannot change locale (en_US.utf8)<br>/bin/sh: warning: setlocale: LC_ALL: cannot change locale (en_US.utf8)<br></div><div><br></div><div>=====</div><div><br></div><div>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.</div><div><br></div><div>========</div><div>/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'<br>make[1]: *** [nmrc_mpi] Error 1<br></div><div><br></div><div>======</div><div><br></div><div>Kindly help me to resolve this error as well as those warning messages.</div><div><br></div><div>thanks</div><div>venkatesh</div><div></div><div><br></div></div>
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</blockquote></div><br clear="all"><div><br></div>-- <br><div dir="ltr"><div dir="ltr">Professor Laurence Marks<br>Department of Materials Science and Engineering<br>Northwestern University<br><a href="http://www.numis.northwestern.edu/" target="_blank">www.numis.northwestern.edu</a><div>"Research is to see what everybody else has seen, and to think what nobody else has thought" Albert <span style="font-family:Arial,Helvetica,sans-serif;font-size:12.8px">Szent-</span><span style="font-family:Arial,Helvetica,sans-serif;font-size:small;color:rgb(34,34,34)">Györgyi</span></div></div></div>
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