Dear All,
I'm trying to install Amber11 with AmberTools 1.5 on a SGI Altix with Novell
SUSE Linux Enterprise Server 11-SP1. It came with MPT (Message Passing
Toolkit) and intel version 12.0.0.
The serial version installs correctly with gnu compilers. However, I get a
lot of errors on the parallel version.
Then I decided to install it with Intel, as there is an old post explaining
how to make it in parallel (
http://archive.ambermd.org/201103/0401.html).
However, I'm getting an error at the very begin:
./configure -altix -noX11 intel
Testing the icc compiler:
icc -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -o testp testp.c
OK
Testing the ifort compiler:
ifort -O0 -o testp testp.f
OK
Testing mixed C/Fortran compilation:
icc -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -c -o testp.c.o
testp.c
ifort -O0 -c -o testp.f.o testp.f
icc -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -o testp testp.c.o
testp.f.o -L/opt/intel/composerxe-2011.0.084/lib/intel64/ -lifport -lifcore
-lguide -lpthread -ldl
ld: cannot find -lguide
./configure: line 1397: ./testp: No such file or directory
Error: Unable to compile mixed C/Fortran code.
Please check your compiler settings and configure flags.
Looking at the configure file, I realized that there is a commentary stating
that the flags might work for intel up to version 11, and I have version 12.
So, coming back to the gnu, I have no idea about what changes should I make
in order to correctly install AmberTools 1.5 and Amber11 on this cluster.
The cpus are dodecacore AMD Opte- ron 6176 SE 2.3 GHz.
Thank you in advance,
--
--
Bruno Barbosa Rodrigues
PhD Student - Physics Department
Universidade Federal de Minas Gerais - UFMG
Belo Horizonte - Brazil
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Aug 25 2011 - 16:30:03 PDT
