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compilation of vasp

Posted: Thu Apr 22, 2010 12:36 pm
by Isha
Hi all...............
I am a new user of vasp. I compiled vasp using i-fort compiler. It gave the following error. Anybody please help me.



./preprocess <base.F | /usr/bin/cpp -P -C -traditional >base.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifc -FR -lowercase -assume byterecl -O3 -xW -tpp7 -c base.f90
make: ifc: Command not found
make: *** [base.o] Error 127

compilation of vasp

Posted: Thu Apr 22, 2010 6:29 pm
by maryam
I guess ifort has not been sourced; so try this command line before "make" relative to your version of compiler.

Source /opt/intel/fc/10.1.015/bin/ifortvars.sh

compilation of vasp

Posted: Mon Apr 26, 2010 1:16 pm
by admin
please check which compiler you use, if it is a new release of the Intel compiler, please replace "ifc" by "ifort" in the makefile.
Please make sure that the directory in which the compiler is installed is in your $PATH
[ Edited Mon Apr 26 2010, 03:17PM ]

compilation of vasp

Posted: Tue Apr 27, 2010 8:05 pm
by enlvamp
First of all, if your using serial version, the comand is ifort and not ifc, with your using a parallel version the command is mpif90
Is your Ifort
Corrently installed and linked ? after u have sucessfull installed it u should do what Maryam says, i mean edit your .bashrc file which is located in your home directory, or create a file in /etc/profile.d/ i usually name this file intel.sh
and put in this file
source /opt/intel/fce/10.1.018/bin/ifortvars.sh
source /opt/intel/mkl/10.2.1.017/tools/environment/mklvarsem64t.sh