[Wien] Fwd: Installation issue

Peter Blaha pblaha at theochem.tuwien.ac.at
Tue Apr 23 15:11:40 CEST 2019


I suggest that you first do only the sequential installation.

For this (and for your hardware) you don't need mpi, scalapack or elpa.

Change into SRC_lapw0 and inspect the compile.msg file in more detail. 
You may see more informative messages then what you posted.

You can also recompile again simply by typing "make" in SRC_lapw0.

PS: If this was the only error in siteconfig after compilation of all 
programs, it might be your libxc installation. (remove -DLIBXC, and the 
corresponding includes and libraries in the Makefile of SRC_lapw0.

On 4/23/19 10:00 AM, Indranil mal wrote:
> I am using a PC with intel i7 32GB RAM and 2TB HDD with UBUNTU 18.04 
> LTS. I have installed OpenBLAS-0.2.20 and using GNU FORTRAN and c 
> compiler and my settings for compiler/Linker , Libraries are as followed
> 
>   Current settings:
>    O   Compiler options:        -ffree-form -O2 -ffree-line-length-none
>    L   Linker Flags:            $(FOPT)
>    P   Preprocessor flags       '-DParallel'
>    R   R_LIBS (LAPACK+BLAS):    -llapack -lblas -lpthread
>    X   LIBX options:            -DLIBXC -I/opt/etsf/include
>        LIBXC-LIBS:              -L/opt/etsf/lib/ -lxcf03 -lxc
> 
> I have installed FFTW3 and mpi but could not install ELPA getting the 
> error " No usable BLACS found. If installed in a non-standard place, 
> please specify suitable LDFLAGS and FCFLAGS as arguments to configure". 
> And that is why I did not configure the parallel computing.
> 
> When I am trying to compile the getting the following error and attached 
> the compile.msg file. Please help me to install WIEN2K in my system.
> 
> done.
> 
> Compile time errors (if any) were:
> SRC_lapw0/compile.msg:collect2: error: ld returned 1 exit status
> SRC_lapw0/compile.msg:make[1]: *** [lapw0] Error 1
> SRC_lapw0/compile.msg:make: *** [seq] Error 2
> 
> Thanking you
> 
> Indranil
> 
> 
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-- 

                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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Email: blaha at theochem.tuwien.ac.at    WIEN2k: http://www.wien2k.at
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