Vasp GPU 6.4.1 Installation issues
Posted: Wed Oct 25, 2023 6:08 pm
I have been trying to install the gpu version of VASP 6.4.1, however I have been getting the following error when compiling the code:
Is there a way to resolve this error? The cuda version is 11.2 and the nv hpc_sdk version is 21.3
Code: Select all
nvfortran -Mpreprocess -Mfree -Mextend -E -DHOST=\"LinuxNV\" -DMPI -DMPI_INPLACE -DMPI_BLOCK=8000 -Duse_collective -DscaLAPACK -DCACHE_SIZE=4000 -Davoidalloc -Dvasp6 -Duse_bse_te -Dtbdyn -Dqd_emulate -Dfock_dblbuf -D_OPENACC -DUSENCCL -DUSENCCLP2P xclib.F > xclib.f90 -DNGZhalf
mpif90 -acc -gpu=cc70,cuda11.2 -Mfree -Mbackslash -Mlarge_arrays -tp host -fast -I/opt/nvidia/hpc_sdk/Linux_ppc64le/21.3/compilers/extras/qd/include/qd -I/gpfs/u/home/MINF/MINFprmn/barn/vasp-6.4.0/fftw-3.3.5/include -c xclib.f90
NVFORTRAN-S-1000-Call in OpenACC region to procedure 'gcor_xc' which has no acc routine information (xclib.f90: 574)
NVFORTRAN-S-1000-Call in OpenACC region to procedure 'gcor_xc' which has no acc routine information (xclib.f90: 574)
NVFORTRAN-S-1000-Call in OpenACC region to procedure 'gcor_xc' which has no acc routine information (xclib.f90: 574)
0 inform, 0 warnings, 3 severes, 0 fatal for corpbe_lda
make[2]: *** [makefile:167: xclib.o] Error 2
make[2]: Leaving directory '/gpfs/u/barn/MINF/MINFprmn/vasp-6.4.0/vasp.6.4.1/build/std'
cp: cannot stat 'vasp': No such file or directory
make[1]: *** [makefile:129: all] Error 1
make[1]: Leaving directory '/gpfs/u/barn/MINF/MINFprmn/vasp-6.4.0/vasp.6.4.1/build/std'
make: *** [makefile:17: std] Error 2