compiling vastcode v3.0b, VASP 5.3.2, Intel v2013.0.079

Vasp transition state theory tools

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hattonps
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Joined: Tue Dec 04, 2012 2:06 pm

compiling vastcode v3.0b, VASP 5.3.2, Intel v2013.0.079

Post by hattonps »

The make for VASP with vastcode v3.0b, VASP 5.3.2, Intel v2013.0.079 gives warnings:

mpif90 -free -names lowercase -assume byterecl -O2 -ip -c dimer.f90
dimer.F(79): warning #5117: Bad # preprocessor line
#if defined(MPI_CHAIN)
------^
dimer.F(82): warning #5117: Bad # preprocessor line
#endif
------^

then fails with

fpp -f_com=no -free -w0 chain.F chain.f90 -DMPI -DHOST=\"LinuxIFC\" -DIFC -DCACHE_SIZE=4000 -DPGF90 -Davoidalloc -DNGZhalf -DMPI_BLOCK=8000 -Duse_collective
chain.F(686): #error: #endif without #if.
make: *** [chain.o] Error 1

Any advice on a fix appreciated.

Thanks
graeme
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Re: compiling vastcode v3.0b, VASP 5.3.2, Intel v2013.0.079

Post by graeme »

Can you try preprocessing with cpp, just to help debug this. Perhaps the fpp has some stricter criteria about preprocessor compiler directives.
hattonps
Posts: 3
Joined: Tue Dec 04, 2012 2:06 pm

Re: compiling vastcode v3.0b, VASP 5.3.2, Intel v2013.0.079

Post by hattonps »

Reverting to cpp, by commenting out the second CPP line in the Makefile:

CPP_ = ./preprocess <$*.F | /usr/bin/cpp -P -C -traditional >$*$(SUFFIX)

# this release should be fpp clean
# we now recommend fpp as preprocessor
# if this fails go back to cpp
#bham CPP_=fpp -f_com=no -free -w0 $*.F $*$(SUFFIX)

fixes this.

Thanks
graeme
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Re: compiling vastcode v3.0b, VASP 5.3.2, Intel v2013.0.079

Post by graeme »

Ok, great. We'll clean up the code so that it is fpp compatible in the next version.
hattonps
Posts: 3
Joined: Tue Dec 04, 2012 2:06 pm

Re: compiling vastcode v3.0b, VASP 5.3.2, Intel v2013.0.079

Post by hattonps »

Could you update this call when an fpp-happy version is released so I know that I can install it and revert to the vasp default way of doing things?

Thanks
ikir
Posts: 2
Joined: Wed Jan 02, 2013 10:32 am

Re: compiling vastcode v3.0b, VASP 5.3.2, Intel v2013.0.079

Post by ikir »

I had this problem as well (before seeing this thread), and I seem to have solved it and the subsequent similar problems by removing all spaces before preprocessor directives in chain.F and dimer.F.

(To do this automatically, you can run the following command on the VTST files before you copy them into the VASP directory.)
sed -i 's/^[ ]\+#/#/' chain.F dimer.F
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