[AMBER] Compiling amber/Tools22 in Ubuntu 22.04

From: Pablo Galaz-Davison via AMBER <amber.ambermd.org>
Date: Thu, 22 Jun 2023 20:27:11 +0000

Dear Amber users,

I am trying to install Amber22 with the CUDA option on, and get this quite noninformative error:

[ 83%] 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

I succesfully installed Amber22 noCUDA without errors, and this prompts when I activate CUDA in the script. I'm running a machine with a clean install of ubuntu 22.04, nvidia driver 530, CUDA version 12.1, GCC/G++/GFortran 11.3.0, and CMAKE 3.22.1
This PC is running a single NVIDIA TITAN Xp, and a quite old i5-4460, but had previously run Amber22 without issues.

Thanks in advance for any help, and please ask if more detailed information is needed.

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Received on Thu Jun 22 2023 - 13:30:03 PDT
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