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xtb-6.7.0/src/gfnff/gfnff_eg.f90 compilation error #1012

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butterflycollector opened this issue Apr 17, 2024 · 0 comments · Fixed by #1051
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xtb-6.7.0/src/gfnff/gfnff_eg.f90 compilation error #1012

butterflycollector opened this issue Apr 17, 2024 · 0 comments · Fixed by #1051
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unconfirmed This report has not yet been confirmed by the developers

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@butterflycollector
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I get the following error during compilation of xtb-6.7.0 on Linux (Clear Linux)

uname -a Linux samara 6.0.7-1207.native #1 SMP Thu Nov 3 09:15:51 PDT 2022 x86_64 GNU/Linux

GCC version 12.2.1

      |                                             1
Error: ‘array’ argument of ‘product’ intrinsic at (1) must be an array
/home/lsd/Downloads/xtb-6.7.0/src/gfnff/gfnff_eg.f90:4041:44:

 4041 |   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/lsd/Downloads/xtb-6.7.0/src/gfnff/gfnff_eg.f90:4041:44:

 4041 |   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/lsd/Downloads/xtb-6.7.0/src/gfnff/gfnff_eg.f90:4039:45:

 4039 |   real(wp), intent(in) :: rTrans( 3, product(2*ewaldCutD+1))
      |                                             1
Error: ‘array’ argument of ‘product’ intrinsic at (1) must be an array
/home/lsd/Downloads/xtb-6.7.0/src/gfnff/gfnff_eg.f90:4039:45:

 4039 |   real(wp), intent(in) :: rTrans( 3, product(2*ewaldCutD+1))
      |                                             1
Error: ‘array’ argument of ‘product’ intrinsic at (1) must be an array
/home/lsd/Downloads/xtb-6.7.0/src/gfnff/gfnff_eg.f90:2023:12:```
@butterflycollector butterflycollector added the unconfirmed This report has not yet been confirmed by the developers label Apr 17, 2024
james-qbraid pushed a commit to james-qbraid/xtb that referenced this issue Jun 11, 2024
change product to hardcoded number fixes grimme-lab#1012 fixes grimme…
c84874c 
…-lab#998 fixes grimme-lab#997
@james-qbraid james-qbraid mentioned this issue Jun 11, 2024
Merged
james-qbraid pushed a commit to james-qbraid/xtb that referenced this issue Jun 11, 2024
change product to hardcoded number fixes grimme-lab#1012 fixes grimme…
eccadcd 
…-lab#998 fixes grimme-lab#997

Signed-off-by: James H. Brown <james.h.brown@dartmouth.edu>
james-qbraid pushed a commit to james-qbraid/xtb that referenced this issue Jun 11, 2024
change product to hardcoded number fixes grimme-lab#1012 fixes grimme…
7b4c8c5 
…-lab#998 fixes grimme-lab#997

Signed-off-by: James H. Brown <james.h.brown@dartmouth.edu>
marcelmbn pushed a commit that referenced this issue Aug 9, 2024
@james-qbraid @awvwgk
change product to hardcoded number fixes #1012 fixes #998 fixes #997 (#…
42d6c80 
…1051)

* change product to hardcoded number fixes #1012 fixes #998 fixes #997

Signed-off-by: James H. Brown <james.h.brown@dartmouth.edu>

* removed space, added old as comment Signed-off-by: James Brown <james.harry.brown@gmail.com>

Signed-off-by: James H. Brown <james.h.brown@dartmouth.edu>

* Update src/gfnff/gfnff_eg.f90

Co-authored-by: Sebastian Ehlert <28669218+awvwgk@users.noreply.github.com>
Signed-off-by: James H. Brown <james.h.brown@dartmouth.edu>

* Update src/gfnff/gfnff_eg.f90

Co-authored-by: Sebastian Ehlert <28669218+awvwgk@users.noreply.github.com>
Signed-off-by: James H. Brown <james.h.brown@dartmouth.edu>

---------

Signed-off-by: James H. Brown <james.h.brown@dartmouth.edu>
Co-authored-by: James H. Brown <james.h.brown@dartmouth.edu>
Co-authored-by: Sebastian Ehlert <28669218+awvwgk@users.noreply.github.com>
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change product to hardcoded number fixes #1012 fixes #998 fixes #997 james-qbraid/xtb
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