Re: [AMBER] Query regading AMBER 22 installation

From: David A Case via AMBER <amber.ambermd.org>
Date: Tue, 30 Jan 2024 09:36:02 -0700

On Mon, Jan 29, 2024, Saikat Pal via AMBER wrote:

>I'm having trouble installing amber 22 with ambertools 23. Unfortunately,
>I'm encountering an error message after executing "make install". The error
>message reads as follows:

Can you provide your compiler version and CUDA version?

>[ 79%] Linking C executable simplepbsa
  [ 79%] Built target simplepbsa
  [ 79%] Building NVCC (Device) object AmberTools/src/pbsa/CMakeFiles/pbsa.cuda.dir/pbsa.cuda_generated_mlses_predict.cu.o
  [ 79%] Building NVCC (Device) object AmberTools/src/pbsa/CMakeFiles/pbsa.cuda.dir/pbsa.cuda_generated_cuda_LinearSolvers.cu.o/usr/include/c++/11/bits/std_function.h:435:145:
      error: parameter packs not expanded with ‘...’:  435 |         function(_Functor&& __f)      |                                                                                                                                                 ^ /usr/include/c++/11/bits/std_function.h:435:145: note:         ‘_ArgTypes’/usr/include/c++/11/bits/std_function.h:530:146: error: parameter packs not expanded with ‘...’:  530 |         operator=(_Functor&& __f)      |                                                                                                                                                  ^ /usr/include/c++/11/bits/std_function.h:530:146: note:         ‘_ArgTypes’CMake Error at pbsa.cuda_generated_cuda_LinearSolvers.cu.o.RELEASE.cmake:278 (message):  Error generating file  /home/saikat/softwares/amber22_src/build/AmberTools/src/pbsa/CMakeFiles/pbsa.cuda.dir//./pbsa.cuda_generated_cuda_LinearSolvers.cu.o

This "parameter packs not expanded with" error has been seen at least once
before with Amber, and lots of times in other codes. A seemingly good
description is here:

   https://stackoverflow.com/questions/33868486/parameter-packs-not-expanded-with/33868734#33868734

That said, these seems to arise only particular versions of nvcc, and (as
far as I can see) you are only the second person to report this. You might
see if changing the CUDA toolkit helps.

Unfotunately, I think the simple workaroud of -DDISABLE_TOOLS="pbsa" leads
to other problems. I'm cc-ing this to Ray Luo to see if he has any ideas.

...regards...dac


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Received on Tue Jan 30 2024 - 09:00:02 PST
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