Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Failing CMake build for 6.7.1 #1130

Open
greghjones opened this issue Nov 16, 2024 · 0 comments
Open

Failing CMake build for 6.7.1 #1130

greghjones opened this issue Nov 16, 2024 · 0 comments
Labels
unconfirmed This report has not yet been confirmed by the developers

Comments

@greghjones
Copy link

Describe the bug
XTB fails to build using CMake with GCC 12.2.0 on file gfnff/gfnff_eg.f90.

This seems to be orthogonal to #1091, although I can hit that error with make -j16 -C build.

To Reproduce
Steps to reproduce the behaviour:

  1. git clone --branch v6.7.1 --depth 1 https://github.com/grimme-lab/xtb.git
  2. cmake -B build -DCMAKE_BUILD_TYPE=Release
  3. make -C build
/home/gh.jones/red/build_software/xtb/6.7.1/src/gfnff/gfnff_eg.f90:4049:45:

 4049 |   real(wp), intent(in) :: rTrans( 3, product(2*ewaldCutD+1))
      |                                             1
Error: ‘array’ argument of ‘product’ intrinsic at (1) must be an array
/home/gh.jones/red/build_software/xtb/6.7.1/src/gfnff/gfnff_eg.f90:4051:44:

 4051 |   real(wp), intent(in) :: gTrans(3, product(2*ewaldCutR+1)-1)
      |                                            1
Error: ‘array’ argument of ‘product’ intrinsic at (1) must be an array
/home/gh.jones/red/build_software/xtb/6.7.1/src/gfnff/gfnff_eg.f90:4051:44:

 4051 |   real(wp), intent(in) :: gTrans(3, product(2*ewaldCutR+1)-1)
      |                                            1
Error: ‘array’ argument of ‘product’ intrinsic at (1) must be an array
/home/gh.jones/red/build_software/xtb/6.7.1/src/gfnff/gfnff_eg.f90:4049:45:

 4049 |   real(wp), intent(in) :: rTrans( 3, product(2*ewaldCutD+1))
      |                                             1
Error: ‘array’ argument of ‘product’ intrinsic at (1) must be an array
/home/gh.jones/red/build_software/xtb/6.7.1/src/gfnff/gfnff_eg.f90:4049:45:

 4049 |   real(wp), intent(in) :: rTrans( 3, product(2*ewaldCutD+1))
      |                                             1
Error: ‘array’ argument of ‘product’ intrinsic at (1) must be an array
/home/gh.jones/red/build_software/xtb/6.7.1/src/gfnff/gfnff_eg.f90:1071:68:

 1071 |            write(*,'(10x,"No H-atom found in this bond ",i0,1x,i0)'), iat,jat
      |                                     

Additional context

CMake version: 3.30.5
GCC/gfortran: 12.2.0
Distro: Red Hat Enterprise Linux release 8.10 (Ootpa)
BLAS/LAPACK vendor: AOCL 5.0

@greghjones greghjones added the unconfirmed This report has not yet been confirmed by the developers label Nov 16, 2024
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
unconfirmed This report has not yet been confirmed by the developers
Projects
None yet
Development

No branches or pull requests

1 participant