VASP installation

Questions regarding compilation of VASP on various platforms.

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VASP installation

Postby ganguly » Thu Jun 16, 2016 8:43 am

Dear VASP team,

We are trying to compile VASP on our linux machine. While compiling we are getting some errors. The files are attached here for your kind perusal.
Would you please advise to rectify these errors

Regards
Bishwajit


VAPS Installation
service0 VASP/src> cd vasp.5.lib/
Directory: /lustre/scratch/bganguly/VASP/src/vasp.5.lib
service0 src/vasp.5.lib> cp makefile.linux_gfortran Makefile
service0 src/vasp.5.lib> make
gcc -E -P -C preclib.F >preclib.f
gfortran -O1 -ffree-form -c preclib.f
cc -O -c timing_.c
cc -O -c derrf_.c
cc -O -c dclock_.c
gcc -E -P -C diolib.F >diolib.f
gfortran -O1 -ffree-form -c diolib.f
gcc -E -P -C dlexlib.F >dlexlib.f
gfortran -O1 -ffree-form -c dlexlib.f
gcc -E -P -C drdatab.F >drdatab.f
gfortran -O1 -ffree-form -c drdatab.f
gfortran -O1 -c lapack_double.f
gfortran -O1 -c linpack_double.f
gfortran -O1 -c lapack_atlas.f
rm libdmy.a
rm: cannot remove `libdmy.a': No such file or directory
make: [libdmy.a] Error 1 (ignored)
ar vq libdmy.a preclib.o timing_.o derrf_.o dclock_.o diolib.o dlexlib.o drdatab.o
ar: creating libdmy.a
a - preclib.o
a - timing_.o
a - derrf_.o
a - dclock_.o
a - diolib.o
a - dlexlib.o
a - drdatab.o
service0 src/vasp.5.lib> cd ../vasp.5.4.1/
Directory: /lustre/scratch/bganguly/VASP/src/vasp.5.4.1
service0 src/vasp.5.4.1> make
mkdir build/std ; \
cp src/makefile src/.objects makefile.include build/std ; \
make -C build/std VERSION=std all
cp: cannot stat `makefile.include': No such file or directory
make[1]: Entering directory `/lustre/scratch/bganguly/VASP/src/vasp.5.4.1/build/std'
makefile:24: makefile.include: No such file or directory
make[1]: *** No rule to make target `makefile.include'. Stop.
make[1]: Leaving directory `/lustre/scratch/bganguly/VASP/src/vasp.5.4.1/build/std'
make: *** [std] Error 2


service0 src/vasp.5.4.1> cp /lustre/scratch/bganguly/VASP/src/vasp.5.lib/Makefile .
service0 src/vasp.5.4.1> rm makefile
service0 src/vasp.5.4.1> make
make: *** No rule to make target `preclib.o', needed by `libdmy.a'. Stop.
service0 src/vasp.5.4.1>


We have added

radial.o : radial.F
$(CPP)
$(F77) $(FFLAGS) O1 $(INCS) -c $*$(SUFFIX)
at the end of the Makefile and tried to compile it.

service0 src/vasp.5.4.1> cd ../vasp.5.lib/
Directory: /lustre/scratch/bganguly/VASP/src/vasp.5.lib
service0 src/vasp.5.lib> vi Makefile
service0 src/vasp.5.lib> make
make: `libdmy.a' is up to date.
service0 src/vasp.5.lib> cd ../vasp.5.4.1/
Directory: /lustre/scratch/bganguly/VASP/src/vasp.5.4.1
service0 src/vasp.5.4.1> vi Makefile
service0 src/vasp.5.4.1> make
make: *** No rule to make target `preclib.o', needed by `libdmy.a'. Stop.
service0 src/vasp.5.4.1>


We have also tried with the makefile.linux_ifc_P4 machine file.



service0 src/vasp.5.lib> cp makefile.linux_ifc_P4 Makefile
service0 src/vasp.5.lib> make
gcc -E -P -C preclib.F >preclib.f
ifc -O0 -FI -FR -c preclib.f
make: ifc: Command not found
make: *** [preclib.o] Error 127
service0 src/vasp.5.lib>
ganguly
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Re: VASP installation

Postby alex » Fri Jun 17, 2016 9:50 am

Dear ganguly,

it looks like you are lacking a bit of experience. I'd suggest to ask an experienced user/admin to give you some assistance. The person should overcome your obstacles in a couple of minutes.

Your error is due to missing environment settings for the Intel compiler. Check e.g. $PATH for starters.

Cheers,

alex
alex
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Posts: 485
Joined: Tue Nov 16, 2004 2:21 pm
Location: Germany


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