[Dock-fans] Fwd: not found -lacml_mv

[Francesco Pietra]

My fault. I had installed ..64_mp. Reinstalled ..64_mp_int64 the
installation was complete.

However, I am still curious why the extra headers mentioned below were needed.
francesco


---------- Forwarded message ----------
From: Francesco Pietra <chiendarret at gmail.com>
Date: Sun, Apr 26, 2009 at 7:33 PM
Subject: not found -lacml_mv
To: dock-fans <dock-fans at docking.org>


Having met obstacles in recompiling dock 6.2 with intel/mkl, i changed
to gnu/acml. even here i met obstacles that were not found with
previous debian amd64 etch. With the new stable amd64 lenny i had to
add headers

#include <limits.h>
#include <cstring>

to all *.cpp in order they be compiled. That was not needed before.

The errors from "make install" (please notice that "make clean" was
issued from /src/dock, not from /src)


ranlib nab.a
make[3]: Leaving directory `/usr/local/dock6/src/dock/nab'
g++ -O2 -o dock6 amber_typer.o base_grid.o base_mpi.o base_score.o
conf_gen.o dock.o dockmol.o grid.o library_file.o master_score.o
orient.o score.o simplex.o sphere.o score_solvent.o score_amber.o
sasa.o score_chemgrid.o utils.o trace.o nab/nab.a
-L/opt/acml4.1.0/gfortran64_mp_int64/lib -lacml_mv
/usr/lib/libgfortran.so.3
/usr/bin/ld: cannot find -lacml_mv
collect2: ld returned 1 exit status
make[2]: *** [dock6] Error 1
make[2]: Leaving directory `/usr/local/dock6/src/dock'
make[1]: *** [dock6] Error 2
make[1]: Leaving directory `/usr/local/dock6/src'
make: *** [install] Error 2


There are also several not harmful warnings, like
dock.cpp: In function ‘int main(int, char**)’:
dock.cpp:70: warning: deprecated conversion from string constant to ‘char*’
dock.cpp:74: warning: deprecated conversion from string constant to ‘char*’
dock.cpp:78: warning: deprecated conversion from string constant to ‘char*’
dock.cpp:82: warning: deprecated conversion from string constant to ‘char*’
and several others.

INFO:

config.h:
=================
CC=          gcc
CXX=         g++
CFLAGS=      -O2
FC=          gfortran
FFLAGS=      -O2 -fno-automatic -fno-second-underscore
LIBS= -L/opt/acml4.2.0/gfortran64_mp_int64/lib -lacml_mv -lgfortran -lpthread
LOAD=        g++
SFX=
LIBS = -L/opt/acml4.2.0/gfortran64_mp_int64/lib -lacml_mv
/usr/lib/libgfortran.so.3

AR=          ar rv
LEX=         flex
OCFLAGS=     -O3 -D_ANSI_SOURCE
RANLIB=      ranlib
==================

gcc 4.3.2
gfortran  4:4.3.2-2
g++ 4.3.2
flex 2.5.35

francesco at tya64:~$ locate libgfortran.so.3
/usr/lib/libgfortran.so.3
/usr/lib/libgfortran.so.3.0.0
francesco at tya64:~$
------
francesco at tya64:~$ echo $LD_LIBRARY_PATH
/opt/intel/mkl/10.0.1.014/lib/em64t:/opt/intel/cce/10.1.015/lib:/opt/intel/fce/10.1.015/lib:/usr/local/lib:/opt/acml4.2.0/gfortran64_mp/lib
francesco at tya64:~$

I tried the compilation by only sourcing the acml libraries at
(obviously) no avail.

It is not clear to me whether something could be done with /usr/bib/ld

Thanks for help

francesco pietra