Research:build instructions sander

New build instructions for Sander

• A better optimized BLAS library is available here for free download. This has been built in bme-earth under ~chona/GotoBLAS.
• Intel has optimized LAPACK routines as part of MKL. On bme-earth, this is installed in ~chona/intel/mkl/8.1/lib/em64t/.
• Edit the <AMBER_TOP>/SRC/sander/Makefile to point to the MKL LAPACK and GotoBLAS libraries. The build rule for the sander* targets need to be changed, e.g.:

#---------------------------------------------------------------------------
sander$(SFX): $(NETCDF) $(OBJ) syslib nxtsec lmod
       $(LOAD)  -o sander$(SFX) $(OBJ) \
               ../lmod/lmod.a $(LOADLIB) \
               -L${HOME}/intel/mkl/8.1/lib/32/ -llapack \
               ${HOME}/GotoBLAS/libgoto.a -lmkl_ia32 -lguide \
               -Wl,-rpath=. \
               ../lib/nxtsec.o ../lib/sys.a $(NETCDFLIB)

Note that these changes refer to the Makefile in lela.tacc.utexas.edu. You may have to change the library directories.

• Run "make" in the sander source directory.