You likely need to use -lblas for libblas.so and -llapack for
liblapack.so installed with "sudo yum install lapack-devel".
A basic WIEN2k serial install with gfortran/cc on Fedora seems quite
similar to Ubuntu [
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17911.html
,
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17175.html
] but Fedora uses yum packages:
Using 64-bit 1.7GB Live image
(Fedora-Workstation-Live-x86_64-28-1.1.iso) from
https://getfedora.org/en/workstation/download/
[liveuser@localhost ~]$ cat /etc/fedora-release
Fedora release 28 (Twenty Eight)
[liveuser@localhost ~]$ sudo yum install tcsh
...
Is this ok [y/N]: y
...
[liveuser@localhost ~]$ sudo yum install gcc-gfortran
...
Is this ok [y/N]: y
...
[liveuser@localhost-live ~]$ sudo yum install lapack-devel
...
Is this ok [y/N]: y
...
[liveuser@localhost-live ~]$ ls /usr/lib64/liblapack*
/usr/lib64/liblapacke.so /usr/lib64/liblapack.so
/usr/lib64/liblapacke.so.3 /usr/lib64/liblapack.so.3
/usr/lib64/liblapacke.so.3.8 /usr/lib64/liblapack.so.3.8
/usr/lib64/liblapacke.so.3.8.0 /usr/lib64/liblapack.so.3.8.0
[liveuser@localhost-live ~]$ ls /usr/lib64/libblas*
/usr/lib64/libblas.so /usr/lib64/libblas.so.3.8
/usr/lib64/libblas.so.3 /usr/lib64/libblas.so.3.8.0
[liveuser@localhost WIEN2k]$ ls
WIEN2k_18.2.tar
[liveuser@localhost WIEN2k]$ tar xvf WIEN2k_18.2.tar
...
[liveuser@localhost WIEN2k]$ gunzip *.gz
...
[liveuser@localhost WIEN2k]$ ./expand_lapw
...
continue (y/n)
y
...
[liveuser@localhost-live WIEN2k]$ rm WIEN2k_INSTALLDATE
[liveuser@localhost WIEN2k]$ ./siteconfig
...
continue or stop (c/s) c
...
Selection: LG
...
Your compiler: gfortran
...
Your compiler: cc
...
Would you like to use LIBXC (that you have installed)? (y,N):
N
...
Selection: R
Real libraries=-lblas -llapack -lpthread
...
Current settings:
O Compiler options: -ffree-form -O2 -ffree-line-length-none
L Linker Flags: $(FOPT) -L../SRC_lib
P Preprocessor flags '-DParallel'
R R_LIBS (LAPACK+BLAS): -lblas -llapack -lpthread
X LIBX options:
LIBXC-LIBS:
S Save and Quit
To change an item select option.
Selection: S
...
Shared Memory Architecture? (y/N):y
Do you know/need a command to bind your jobs to specific nodes?
(like taskset -c). Enter N / your_specific_command: N
...
(y/N) N
...
Selection: Q
...
Selection: A
...
Compile time errors (if any) were:
Check file compile.msg in the corresponding SRC_* directory for the
compilation log and more info on any compilation problem.
...
Please enter the full path of the perl program: /usr/bin/perl
...
Please enter the full path to your temporary directory: /tmp
...
[liveuser@localhost-live WIEN2k]$ ./userconfig
...
Note: The above does not include other packages that might be needed for
run-time (such as: sudo yum gnuplot octave grace) or post-processing
programs [
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17895.html
, http://susi.theochem.tuwien.ac.at/reg_user/unsupported/ ].
On 10/21/2018 1:08 PM, Ashwani Kumar wrote:
Dear Mam/Sir,
I am trying to install wien2k in fedora (system config. : 64 bit,
i7-8700 processor-6 cores, 8 gb ram). Almost every program have this
error (shown in BOLD), below is compile.msg from Pairhess program::
_______________________________________________________________
gfortran -o pairhess energy.o findneigh.o findsymm.o fixup.o
gen_brav.o init.o main.o sortag.o dchdc.o errclr.o errflg.o gtfnam.o
outerr.o expandset.o makehessb.o findequivs.o matcon.o rigidb2.o
atomic_mass.o -ffree-form -O2 -ffree-line-length-none -L../SRC_lib
/opt/libopenblas /opt/liblapack -lpthread
*gfortran: error: /opt/libopenblas: No such file or directory
gfortran: error: /opt/liblapack: No such file or directory*
make: *** [Makefile:61: pairhess] Error 1
__________________________________________________________________________
So every program is non-executable.
Thinking of missing link between gfortran /gcc , executed test command :
[hardy@localhost WIEN2K]$ gfortran testblas.c
/path/to/OpenBLAS/libopenblas.lib -o test
*gfortran: error: testblas.c: No such file or directory
gfortran: error: /path/to/OpenBLAS/libopenblas.lib: No such file or
directory
*
Please help.
I am very thankful to Dr. Blaha for his kind support related to WIEN2K
program (his positive reply on 19/10/2018 made my task easy).
thanks,
Ashwani Kumar
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