Did you guys write in support for 4.1.x? I recall gcc having bugginess that was bad for Amber in that series.
:-) Lachele
Dr. B. Lachele Foley
Complex Carbohydrate Research Center
The University of Georgia
Athens, GA USA
lfoley.uga.edu
http://glycam.ccrc.uga.edu
________________________________________
From: Ross Walker [ross.rosswalker.co.uk]
Sent: Friday, March 16, 2012 7:24 PM
To: AMBER Developers Mailing List
Subject: [AMBER-Developers] Builds of AMBER 12 with gcc 4.1.2 failing
Hi All,
There seem to be issues compiling AMBER 12 on Redhat 5 which has gcc 4.1.2.
The configure suggests it is working fine:
./configure gnu
....
Obtaining the gnu suite version:
gcc -v
The version is 4.1.2
Skipping the parts of AmberTools that depend on fftw3
....
But then running make gives:
make[3]: Entering directory `/server-home/rcw/amber/AmberTools/src/rism'
gfortran -c -DBINTRAJ \
\
-O3 -ffree-form -I/server-home/rcw//amber/include
-I/server-home/rcw//amber/include \
-o rism_report_c.o rism_report_c.F90
gfortran -c -DBINTRAJ \
\
-O0 -ffree-form -I/server-home/rcw//amber/include
-I/server-home/rcw//amber/include \
-o fftw3.o fftw3.F90
In file fftw3.F90:33
use, intrinsic :: iso_c_binding
1
Error: Unclassifiable statement at (1)
In file fftw3.f03:3
Included at fftw3.F90:37
integer, parameter :: C_FFTW_R2R_KIND = C_INT32_T
1
Error: Parameter 'c_int32_t' at (1) has not been declared or is a variable,
which does not reduce to a constant expression
In file fftw3.f03:5
So it still tries to build rism.
but config.h in $AMBERHOME looks good:
#1D-RISM
RISM=no
#3D-RISM NAB
RISMSFF=
TESTRISMSFF=
#3D-RISM SANDER
RISMSANDER=
SANDER_RISM_INTERFACE=
FLIBS_RISMSANDER=
TESTRISMSANDER=
but it looks like in $AMBERHOME/AmberTools/src/Makefile it still tries to
build RISM for NAB
# nab:
(cd cifparse && $(MAKE) install )
(cd sff && $(MAKE) install )
(cd pbsa && $(MAKE) libinstall )
(cd rism && $(MAKE) $(RISM) )
(cd nab && $(MAKE) install )
(cd nss && $(MAKE) install )
so it calls the RISM makefile with $1 as 'no' but then the RISM Makefile
does not seem to know how to process that:
.PHONY: yes no \
librism librism_mpi rism1d$(SFX) \
rism3d.snglpnt$(SFX) rism3d.snglpnt.MPI$(SFX) \
install install_mpi uninstall clean
...
...
yes: install
no:
install: librism rism1d$(SFX)
/bin/mv rism1d$(SFX) $(BINDIR)
...
...
So 'make no' still leads to it being built.
Any ideas? - maybe the order needs changing here?
All the best
Ross
/\
\/
|\oss Walker
---------------------------------------------------------
| Assistant Research Professor |
| San Diego Supercomputer Center |
| Adjunct Assistant Professor |
| Dept. of Chemistry and Biochemistry |
| University of California San Diego |
| NVIDIA Fellow |
|
http://www.rosswalker.co.uk |
http://www.wmd-lab.org/ |
| Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk |
---------------------------------------------------------
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Received on Fri Mar 16 2012 - 17:00:02 PDT
