<div dir="ltr"><div dir="ltr"><div dir="ltr"><div>I have followed your suggestion and it is working except the xcrysden is not linked, can not view structures. <br></div><div><br></div><div>dps@dps-lab:~$ whereis xcrysden <br>xcrysden: /usr/bin/xcrysden /usr/lib/xcrysden /usr/share/xcrysden /home/dps/WIEN2K/xcrysden /usr/share/man/man1/xcrysden.1.gz</div><div><br></div><div>XCRYSDEN_TOPDIR=/usr/share/xcrysden<br>XCRYSDEN_SCRATCH=/home/dps/xcrys_tmp<br></div><div><br></div><div>unable to edit the top directory. However I have installed xcrysden from UBUNTU software library. <br></div><div><br></div><div><br></div><div>Thanking you <br></div><div><br></div><div>Indranil<br></div><br></div></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Tue, Apr 23, 2019 at 6:41 PM Peter Blaha <<a href="mailto:pblaha@theochem.tuwien.ac.at">pblaha@theochem.tuwien.ac.at</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">I suggest that you first do only the sequential installation.<br>
<br>
For this (and for your hardware) you don't need mpi, scalapack or elpa.<br>
<br>
Change into SRC_lapw0 and inspect the compile.msg file in more detail. <br>
You may see more informative messages then what you posted.<br>
<br>
You can also recompile again simply by typing "make" in SRC_lapw0.<br>
<br>
PS: If this was the only error in siteconfig after compilation of all <br>
programs, it might be your libxc installation. (remove -DLIBXC, and the <br>
corresponding includes and libraries in the Makefile of SRC_lapw0.<br>
<br>
On 4/23/19 10:00 AM, Indranil mal wrote:<br>
> I am using a PC with intel i7 32GB RAM and 2TB HDD with UBUNTU 18.04 <br>
> LTS. I have installed OpenBLAS-0.2.20 and using GNU FORTRAN and c <br>
> compiler and my settings for compiler/Linker , Libraries are as followed<br>
> <br>
> Current settings:<br>
> O Compiler options: -ffree-form -O2 -ffree-line-length-none<br>
> L Linker Flags: $(FOPT)<br>
> P Preprocessor flags '-DParallel'<br>
> R R_LIBS (LAPACK+BLAS): -llapack -lblas -lpthread<br>
> X LIBX options: -DLIBXC -I/opt/etsf/include<br>
> LIBXC-LIBS: -L/opt/etsf/lib/ -lxcf03 -lxc<br>
> <br>
> I have installed FFTW3 and mpi but could not install ELPA getting the <br>
> error " No usable BLACS found. If installed in a non-standard place, <br>
> please specify suitable LDFLAGS and FCFLAGS as arguments to configure". <br>
> And that is why I did not configure the parallel computing.<br>
> <br>
> When I am trying to compile the getting the following error and attached <br>
> the compile.msg file. Please help me to install WIEN2K in my system.<br>
> <br>
> done.<br>
> <br>
> Compile time errors (if any) were:<br>
> SRC_lapw0/compile.msg:collect2: error: ld returned 1 exit status<br>
> SRC_lapw0/compile.msg:make[1]: *** [lapw0] Error 1<br>
> SRC_lapw0/compile.msg:make: *** [seq] Error 2<br>
> <br>
> Thanking you<br>
> <br>
> Indranil<br>
> <br>
> <br>
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-- <br>
<br>
P.Blaha<br>
--------------------------------------------------------------------------<br>
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna<br>
Phone: +43-1-58801-165300 FAX: +43-1-58801-165982<br>
Email: <a href="mailto:blaha@theochem.tuwien.ac.at" target="_blank">blaha@theochem.tuwien.ac.at</a> WIEN2k: <a href="http://www.wien2k.at" rel="noreferrer" target="_blank">http://www.wien2k.at</a><br>
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</blockquote></div>