ABINIT Discussion Forums

Posted: **Sat Dec 12, 2020 4:54 am**

Hello,

I am trying to add MAGMA to Abinit. I have installed MAGMA using cmake and did not receive any errors, and I also find it inside of the usr/local directory, so I am assuming MAGMA installed correctly. Abinit runs fine with GPU support when I do not add magma, but when I try and add --with-linalg-flavor="netlib+magma", it throws out the error:

Code: Select all

configure: using tarball repository /home/cxu/.abinit/tarballs
checking for the requested linear algebra support... netlib+magma
checking whether to select a fallback for linear algebra... no
checking for AXPBY support in specified BLAS libraries... no
checking for gemm3m in specified libraries... no
checking for library containing zgemm... -lblas
checking for library containing zhpev... -llapack
checking for library containing magmaf_zheevd... no
configure: error: Magma library requested but not found

Does anyone know what is wrong?
Any help would be appreciated.

Thanks.

Posted: **Sun Jan 03, 2021 7:20 pm**

Hi,

You need to specify the path of the magma installation folder.

for example, my config with mkl instead of netlib :

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with_linalg_flavor="mkl+magma"
LINALG_CPPFLAGS="-I${MAGMA_ROOT}/include -I${MKLROOT}/include"
LINALG_FCFLAGS="-I${MAGMA_ROOT}/include -I${MKLROOT}/include"
LINALG_LIBS="-L${MAGMA_ROOT}/lib -Wl,--start-group -lmagma -lcuda -Wl,--end-group -L${MKLROOT}/lib/intel64 -lmkl_gf_lp64 -lmkl_sequential -lmkl_core -lgomp -lpthread -lm"

and some environmental variables :

Code: Select all

MAGMA_NUM_GPUS=3
MAGMA_NUM_THREADS=1
MAGMA_ROOT=/usr/local/magma2.5_gcc8.3_mkl

best,
jmb

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