[DFTB-Plus-User] about compiling the dftb+

suman kalyan sahoo kalyan_apu at yahoo.co.in
Fri Jul 16 07:03:45 CEST 2010


Dear all,

I will compile the dftb+_1.0_src, however something is wrong,
> could anyone help me?
after I perform making in the prg_dftb dir, the following error appears
make[1]: no rule to make target assert.h needed by 'initprogram.o'  stop.
make[1]: Leaving directory
 
 
another problem is,
when i will compile the  dftb+_1.0.1_src  the following error occur after the make command
 .................................................
ifort:error =10236: file not found:  '/libguide.a'
make[1]: ***[dftb+] Error1
make[1]: Leaving directory 'home/......./prg_dftb/_obj_i686_linux_ifort
 
In sysmake file i edit the make.i686_linux_ifort file 
MKL-LIBDIR= /opt/intelmkl/10..2.5.035/lib/32
LIBOPT= -L$(MKL_LIBDIR)
How to link specific libraries
LIB-BLAS=-lmkl_ia32 $(MKL_LIBDIR) /libguide.a -lpthread
# Lib-lapak= -lmkl_lapack
 
and libguide.a also in the appropriate directory

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