[AMBER-Developers] Builds of AMBER 12 with gcc 4.1.2 failing

From: Ross Walker <ross.rosswalker.co.uk>
Date: Fri, 16 Mar 2012 16:24:07 -0700

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 |
---------------------------------------------------------

Note: Electronic Mail is not secure, has no guarantee of delivery, may not
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Received on Fri Mar 16 2012 - 16:30:02 PDT
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