[AMBER] compile Amber16 with the intel compiler

From: Vlad Cojocaru <vlad.cojocaru.mpi-muenster.mpg.de>
Date: Mon, 17 Oct 2016 13:56:43 +0200

Dear all,

I am trying to compile Amber16 on a cluster with Intel compiler
(16.0.3). However, I get the error below. The error tells that even if I
specify the -intel option to configure, there is some stuff that
automatically compiles with gcc. And then I get the incompatibility
between the math.h file from intel and gnu.

Is there anything that can be done to fix this problem ?

Thanks

Best wishes
Vlad

----error message-----

ifort -fPIC -I/usr/users/vcojoca/apps/gwdu102/amber/16_tools-16/include
-I/usr/users/vcojoca/apps/gwdu102/amber/16_tools-16/include
-I/cm/shared/apps/intel/compilers_and_libraries/2016.3.210/mkl/include
-c -o make_crd_hg.o make_crd_hg.F
ifort -DMKL -DBINTRAJ -DEMIL -fPIC
-I/usr/users/vcojoca/apps/gwdu102/amber/16_tools-16/include
-I/usr/users/vcojoca/apps/gwdu102/amber/16_tools-16/include
-I/cm/shared/apps/intel/compilers_and_libraries/2016.3.210/mkl/include
-o /usr/users/vcojoca/apps/gwdu102/amber/16_tools-16/bin/make_crd_hg
make_crd_hg.o \
         ../lib/amopen.o ../lib/mexit.o -shared-intel
/usr/users/vcojoca/apps/gwdu102/amber/16_tools-16/bin/nab -o
/usr/users/vcojoca/apps/gwdu102/amber/16_tools-16/bin/mm_pbsa_nabnmode
mm_pbsa_nabnmode.nab
cp mm_pbsa.pl mm_pbsa_statistics.pl
/usr/users/vcojoca/apps/gwdu102/amber/16_tools-16/bin
make[2]: Leaving directory
`/home/mpg05/vcojoca/apps/gwdu102/amber/16_tools-16/AmberTools/src/mm_pbsa'
(cd FEW && make install)
make[2]: Entering directory
`/home/mpg05/vcojoca/apps/gwdu102/amber/16_tools-16/AmberTools/src/FEW'
gcc miscellaneous/draw_membrane2.c -lm -o miscellaneous/draw_membrane2
In file included from miscellaneous/draw_membrane2.c:58:0:
/cm/shared/apps/intel/compilers_and_libraries/2016.3.210/compiler/include/math.h:29:3:
error: #error "This Intel <math.h> is for use with only the Intel
compilers!"
  # error "This Intel <math.h> is for use with only the Intel compilers!"
    ^
make[2]: *** [install] Error 1
make[2]: Leaving directory
`/home/mpg05/vcojoca/apps/gwdu102/amber/16_tools-16/AmberTools/src/FEW'
make[1]: *** [serial] Error 2
make[1]: Leaving directory
`/home/mpg05/vcojoca/apps/gwdu102/amber/16_tools-16/AmberTools/src'
make: *** [install] Error 2

-- 
Dr. Vlad Cojocaru
Computational Structural Biology Laboratory
Department of Cell and Developmental Biology
Max Planck Institute for Molecular Biomedicine
Röntgenstrasse 20, 48149 Münster, Germany
Tel: +49-251-70365-324; Fax: +49-251-70365-399
Email: vlad.cojocaru[at]mpi-muenster.mpg.de
http://www.mpi-muenster.mpg.de/43241/cojocaru
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Received on Mon Oct 17 2016 - 05:00:03 PDT
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