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Posted: **Fri Feb 03, 2023 1:27 am**

Hi,

I get the following error while compiling vasp5.2 in parallel with gcc-9.3.0 and openmpi

base.f:1:1:

1 | /* Copyright (C) 1991-2012 Free Software Foundation, Inc.
| 1
Error: Invalid character in name at (1)
base.f:16:4:

16 | <http://www.gnu.org/licenses/>. */
| 1
Error: Invalid character in name at (1)
base.f:19:1:

19 | /* This header is separate from features.h so that the compiler can
| 1
Error: Invalid character in name at (1)
base.f:22:4:

22 | <features.h> because the implicit include comes before any feature
| 1
and many more similar lines

The parameters in the Makefile are as follows

Code: Select all

FC=/cvmfs/soft.computecanada.ca/easybuild/software/2020/avx2/Compiler/gcc9/openmpi/4.0.3/bin/mpif90
FCL=$(FC)
FFLAGS =  -ffree-form   -fno-second-underscore
OFLAG=-O3
CPP_ =  ./preprocess <$*.F | /usr/bin/cpp -P -C -traditional >$*$(SUFFIX)

CPP   = $(CPP_) -DHOST=\"gfortran\" \
         -DMPI -DMPI_BLOCK=8000 \
        -Duse_collective -DCACHE_SIZE=12000 -Davoidalloc -DNGZhalf \
	-DVASP2WANNIER90v2

LAPACK=-L/cvmfs/soft.computecanada.ca/easybuild/software/2020/Core/imkl/2020.1.217/mkl/lib/intel64 -lmkl_intel_lp64  -lmkl_sequential -lmkl_core -lpthread -lmkl_blacs_lp64

LIB     = -L../vasp.5.lib -ldmy  \
      ../vasp.5.lib/linpack_double.o $(LAPACK) \
      $(SCA) $(BLAS) ../wannier90-2.1.0/libwannier.a

FFT3D   = fftmpi.o fftmpi_map.o fft3dfurth.o fft3dlib.o

The vasp library was precompiled with gcc as well.

Any hints would be appreciated.

Thank you,
Vahid

Posted: **Fri Feb 03, 2023 1:12 pm**

Hi,

You are using a version of VASP (5.2) that is very old (from ~2011), and therefore probably incompatible with recent versions of Fortran compilers. The most appropriate solution would be to upgrade VASP.

Posted: **Fri Feb 03, 2023 1:31 pm**

Thank you for your response. I am guessing that there will not be any free upgrades

.

Cheers,
Vahid

Posted: **Fri Feb 03, 2023 1:49 pm**

No if the last license renewal is too told, as mentioned under "Is there an annual fee to be paid?" at info/faq/

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