Re: [AMBER] Amber20 Installation Error

From: David A Case <>
Date: Wed, 30 Dec 2020 12:21:04 -0500

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
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