[Wien] Problem in wien2k17 installation on remote server

[Indranil mal]

Any specific directory I have to install it or any?


Thanking you
Indranil


On Sat, Sep 1, 2018 at 11:28 PM Indranil mal <indranil.mal at gmail.com> wrote:

> I have *scalapack-2.0.2 *will it be all right to install or I have to
> follow use BLAS
>
> On Sat, Sep 1, 2018 at 5:39 PM Gavin Abo <gsabo at crimson.ua.edu> wrote:
>
>> The compile.msg tells you exactly what is wrong:
>>
>> error: /opt/libopenblas: No such file or directory
>> error: /opt/liblapack: No such file or directory
>>
>> Using those BLAS and lapack, I don't know.  Those might be operating
>> systems package ones.  Maybe they are not installed [
>> https://askubuntu.com/questions/623578/installing-blas-and-lapack-packages
>> ]:
>>
>> sudo apt-get install libblas-dev liblapack-dev
>>
>> Or maybe the library filenames are different.  Maybe they have to be
>> changed to:
>>
>>   R   R_LIBS (LAPACK+BLAS):    /opt/libopenblas.a /opt/liblapack.a
>> -lpthread
>>
>> However, as I already mentioned, I use:
>>
>>   R   R_LIBS (LAPACK+BLAS):    -L/home/ubuntu/OpenBLAS-0.2.20 -lopenblas
>> -llapack_lapw -lpthread
>>
>> Where I installed OpenBLAS with [
>> https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17175.html
>> ]:
>>
>> ubuntu at ubuntu:~$ cd ~
>> ubuntu at ubuntu:~$ wget
>> http://github.com/xianyi/OpenBLAS/archive/v0.2.20.tar.gz
>> ...
>> ubuntu at ubuntu:~$ tar zxvf v0.2.20.tar.gz
>> ...
>> ubuntu at ubuntu:~$ cd OpenBLAS-0.2.20/
>> ubuntu at ubuntu:~/OpenBLAS-0.2.20$ make FC=gfortran
>>
>> On 9/1/2018 11:23 AM, Indranil mal wrote:
>> > Thank you for your reply. As I am new in LINUX operating system I
>> > could not follow you initially sorry for that. However I am using
>> >
>> > Ubuntu 18.04.1 LTS
>> > Memory 31.3 GiB
>> > processor Intel® Core™ i7-7700 CPU @ 3.60GHz × 8
>> > Graphics Intel® HD Graphics 630 (Kaby Lake GT2)
>> > GNOME 3.28.2
>> > OS type 64-bit
>> > Disk 200.6 GB
>> > Please inform me what are the information you need to analyze the
>> > errors. I will try to provide you.
>> >
>> > this time I have used all the recommended options for compiler and
>> linker
>> >
>> >
>> > ***********************************************************************
>> >  *                 Specify compiler and linker options                 *
>> >  ***********************************************************************
>> >
>> >
>> >  Recommended options for system linuxgfortran are:
>> >       Compiler options:        -ffree-form -O2 -ffree-line-length-none
>> >       Linker Flags:            $(FOPT) -L../SRC_lib
>> >       Preprocessor flags:      '-DParallel'
>> >       R_LIB (LAPACK+BLAS):     /opt/libopenblas /opt/liblapack -lpthread
>> >
>> >  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):    /opt/libopenblas /opt/liblapack -lpthread
>> >   X   LIBX options:            -DLIBXC -I/opt/etsf/include
>> >       LIBXC-LIBS:              -L/opt/etsf/lib/ -lxcf03 -lxc
>> >
>> > I have got the attached error while compiling.
>> >
>> > Thanking you
>> > Indranil
>>
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>
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