The ABINIT Users Mailing List ( CLOSED )

[Yusuke Iguchi <iguchi@coral.t.u-tokyo.ac.jp>]

Dear all

Recently I tried to compile the ABINIT code on NEC SX-7 machine
at Institute for Molecular Science in Okazaki National Research
Institute (IMS, www.ims.ac.jp),
and I encountered several difficulties.
After modifying the source files, I finally made it.
In this mail, I will report what I did.

I am happy if the future version of the ABINIT code will
be free from the difficulties.

If somebody is interested in my modified ABINIT code,
I can upload the output of diff on my own web directory
and will show the URL on this mailing list.

Thank you.
------------------------------------------------------------

1. Problem of CPP

Since the preprocessor "cpp" in our environment interpret
the character of "'" (prime) in a comment
line as the beginning of a string, an error occurs when the
number of "'" is odd in a line.
This problem can be avoided by revising the comments
in a dozen of source files
as follows whenever the error reported.

I don't .. -> I do not ..
G' -> G\prime

This is in the case of the default option of cpp.


2. Compatibility between nec and nolib

In matrginv.f, the ASL (built-in numerical library in SX7)
routine is linked even if 'nolib' option is selected.
So I revised the file as follows:

before:
#elif defined nec

after:
#elif defined nec && !defined nolib


3. Example of makefile_macros in SX7 at IMS

I compiled the executable without library in SX7
at IMS by a cross compiler.

I show the makefile_macros.SX7 linked by
makefile_macros used for the compile as
unified diff format.

---------- beginning of the output of diff ------------------
--- makefile_macros.SX5 Sun May 11 17:52:37 2003
+++ makefile_macros.SX7 Thu Apr  1 13:29:39 2004
@@ -20,7 +20,7 @@
 MACHINE=nec

 # Fortran optimized compilation
-FC=f90
+FC=sxf90

 FFLAGS= -f4 -Wf"-pvctl fullmsg noassume nodivloop -L transform fmtlist"
 #AGGR_VEC:
@@ -31,8 +31,8 @@
 #FFLAGS_LIBS= -C hopt -Wf"-pvctl noassume nodivloop"

 # C preprocessor, used to preprocess the fortran source.
-CPP=/mem/cpp
-CPP_FLAGS=-P
+CPP=/lib/cpp
+CPP_FLAGS=-Dnolib -P

 # C optimized compilation.
 CC=cc
@@ -45,15 +45,15 @@
 MACHINE_DEP_C_SEQ_SUBS_LIST=cclock.o

 # Definition of libraries
-LAPACK=
-BLAS=
+LAPACK=Lib_lapack/lapack.a
+BLAS=Lib_blas/blas.a

 #Original ASL declaration, from F.Finocchi and C. Roult
 #ASL_A=ASL_I4R4R8
 #Modified version, from L. Pizzagalli
-ASL_A=$$ASL_I4R4R8
+#ASL_A=$$ASL_I4R4R8

-LIBS= /usr/lib/liblapack.a /usr/lib/libblas.a $(ASL_A)
+LIBS= $(LAPACK) $(BLAS)

 ####################################################################
 # For the parallel version
------------------ end of the output of diff ---------------------

And I made executable by the command

    make AR_COMMAND=sxar allseq

The compilation was completed after the above work,
and it executed with no error.

%-----------------------------------------------------------
% Yusuke IGUCHI : Dept. of Applied Physics, Univ. of Tokyo
%-----------------------------------------------------------