On Mon, Dec 28, 2020, Li,Haoxi wrote:
>
> CMakeFiles/lapack.dir/dla_gerfsx_extended.f.o: In function
> `dla_gerfsx_extended_':
> dla_gerfsx_extended.f:(.text+0x2d4): undefined reference to
> `blas_dgemv2_x_'
> collect2: error: ld returned 1 exit status
I still don't have a good understanding of how CMake is handling blas and
lapack; it may(?) be using OpenBLAS from conda on many machines, but that is
just a guess.
In the meantime, you could try this:
replace amber20_src/AmberTools/src/lapack/CMakeLists.txt with the
version attached to this email. Re-run run_cmake and then "make install"
This should get rid of the error cited above, and I don't think the routines
involved are every used in Amber.
....hope this helps....dac
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Received on Wed Dec 30 2020 - 09:30:03 PST
