Re: [AMBER] Amber20 Installation Error

From: David A Case <>
Date: Tue, 29 Dec 2020 09:47:10 -0500

On Mon, Dec 28, 2020, Li,Haoxi wrote:
> I was trying to install Amber20 on Linux system (Ubuntu 18.04.4) with
> cmake (3.17.3-linux-x86_64), but there was an error in the make install
> step. The error is as following:
> [ 10%] Building Fortran object
> AmberTools/src/lapack/CMakeFiles/lapack.dir/dtrsyl.f.o
> [ 10%] Linking Fortran shared library
> 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 don't recall having seen this error before. The odd thing about your
build report is this:

-- Compilers:
-- C: GNU 7.5.0 (/usr/bin/gcc)
-- CXX: GNU 5.5.0 (/usr/bin/g++)
-- Fortran: GNU 7.5.0 (/usr/bin/gfortran)

Did you do anything odd in setting up compilers that could have led to this
version mismatch? If so, there might be something else funny in your

That said, blas_dgemv2_x is listed as EXTERNAL, so it's unclear (to me!)
why one would have trouble making

When I look at my (many) Ubuntu builds, however, the "build report" always
says that blas and lapack are disabled, which doesn't make any sense to me,
since lots of codes depend on this. Your build report says that blas and
lapack are being built from bundled sources, which could be a reason why you
see this error and I don't.

Jamie: Do you understand what is going on here? How could blas/lapack be
"disabled"? If I add -DFORCE_INTERNAL_LIBS="blas;lapack", the cmake log
first indicates that these two libraries will be build from bundled sources,
but later on, in the build report, it says that they are disabled, and there
are no corresponding subdirectories under amber20_src/build. I also tried
-DBLA_VENDOR="Generic", but got the same result.

On OSX, if I set -DBLA_VENDOR="Generic", cmake builds lapack from sources,
but I can't seem to force that behavior on Ubuntu, so I can't try to
reproduce the user's problem.

Others are welcome to chime in here...usual apologies if I am missing
something obvious.


AMBER mailing list
Received on Tue Dec 29 2020 - 07:00:02 PST
Custom Search