You need to install and use BLAS.
I'm not as familiar with scalapack. I believe that is only needed for a
mpi parallel compile. The mpi is useless for a single computer [
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg03793.html
,
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg09334.html
]. However, it is better to ask your cluster admin about that if you
will be using mpi parallel, because usually they have a specific
scalapack already installed that you would need to use.
If you decide to use the operating system openblas and lapack package, I
tried it and it seems to compile just fine using compile settings below:
username@computername:~$ lsb_release -a
No LSB modules are available.
Distributor ID: Ubuntu
Description: Ubuntu 18.04.1 LTS
Release: 18.04
Codename: bionic
...
username@computername:~$ sudo apt install liblapack-dev
...
Do you want to continue? [Y/n] Y
username@computername:~$ sudo apt install libopenblas-dev
...
username@computername:/usr/include$ ls /usr/lib/x86_64-linux-gnu/lapack/
liblapack.a liblapack.so liblapack.so.3 liblapack.so.3.7.1
username@computername:/usr/include$ ls /usr/lib/x86_64-linux-gnu/openblas/
libblas.a libblas.so libblas.so.3 liblapack.a liblapack.so
liblapack.so.3
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
On 9/1/2018 12:10 PM, Indranil mal wrote:
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....@gmail.com
<mailto:indranil....@gmail.com>> wrote:
I have *scalapack-2.0.2 *will it be all right to install or I have
to follow use BLAS
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