The ABINIT Users Mailing List ( CLOSED )

[Pio Baettig <baettigp@gmx.net>]

Dear Abinit-users,

I am trying to compile Abinit on SR11000.
I read the older messages on the forum (Jan2007) and tried to use the 
options suggested there, but without success so far.

I tried to use the flags suggested by Prof. Arai (see attached 
forum-post below, and also tried to enhance them with the compiler-flags 
 we are using for another code. So far, 'make abinip' always failed.

The compilers that are available are mpixf90 and mpixf90_r (and xf90 for 
serial compilation). Apparently the compilers vary also from SR11000 to 
SR11000...

The flags I normally used for parallel compilation (HiLAPW) are:

---
FC= mpixf90
FFLAGS= -Os -64 -precexp=4 -nompi -noparallel
LFLAGS= -64 -noparallel
LIB= -L/usr/local/lib -lblas_s -llapack_s -noparallel
---

So I tried with:
./configure --disable-smart-config --enable-64bit-flags \
--with-mpi-fc="mpixf90 -nohugeary -Os -64 -precexp=4 -nompi \
-noparallel" --with-mpi-fcflags="-Os -nohugeary -64 -precexp=4 \
-nompi -noparallel" FC="xf90 -nohugeary -O -64 -precexp=4" FCFLAGS="-O \
-nohugeary -64 -precexp=4"


or some shorter variant (also the original suggestion of Prof. Arai, 
with the compilers replaced by mpixf90/mpixf90_r and xf90) , and then

make abinip

but the compilation always broke. Unfortunately, the error-messages are 
not all too helpful.

------
*program name = CCHI0
*program units = 0001, 0013  diagnostics generated, highest severity 
code is  12
make: The error code from the last command is 12.


Stop.
make: The error code from the last command is 2.


Stop.
------

I would be very grateful if someone has an idea on how to get abinip 
running.






So far, I tried mostly with abinit 5.3.4.

Abinit 5.4.2 seems to be easier,
>./configure --with-mpi-fc="mpixf90" FC="xf90"
>make abinip
runs (nearly) through, but there seems to be a problem just at the end 
of the compilation:
----
*program name = WRITE_MOLDYNVALUENETCDF
*end of compilation : WRITE_MOLDYNVALUENETCDF
*program units = 0001, 0011  diagnostics generated, highest severity 
code is  00
        rm -f lib21drive.a
        /usr/bin/ar cru lib21drive.a afterscfloop.o brdmin.o 
delocint.o diisrelax.o driver.o  drivergw.o elpolariz.o gstate.o 
handle_err_netcdf.o isotemp.o  loop3dte.o moldyn.o move.o  nonlinear.o 
outscfcv.o scfcv.o  screening.o sigma.o testfi.o  timana.o vtorhotf.o 
wannier.o  write_header_moldynnetcdf.o  write_moldynvaluenetcdf.o
        ranlib lib21drive.a
        cd src/main && make abinip
        xf90     -o  abinip
----
and it finishes, but there is no abinip in src/main.





Thank you very much for any hints.

Best regards,

Pio Baettig

P.S. if further information or a logfile is needed, I can provide them. 
I did not want to stuff this mail too much.






------------------- Original Mail

Thank you for your suggestions.

Now, I succeded in compiling abinit-5.2.4 without any ad hoc hacks.

I used the following configure options.

../configure --disable-smart-config --enable-64bit-flags \
--enable-mpi --with-mpi-fc="mpif90_r -nohugeary -O" \
--with-mpi-fcflags="-O -nohugeary" \
FC="f90 -nohugeary -O" FCFLAGS="-O -nohugeary"

The option " --disable-smart-config" solves the problem I met at the
configuration.

In addition, two modification is necessary to compile on sr11000.

(1) The compile option "-nohugeary" must be used. Without this option,
some intrinsic functions such as "size" return long integer. (This is an
extension of Hitachi Fortran. I think such extention violates the Fortran90
standard.) It causes the compile error at several points.

(2) The source code must be corrected as I pointed out in my e-mail sent to
abinit mailing list on 2006-12-27.


--

Masao Arai

----------------------