Comments (5)
agoetz
commented on June 15, 2024
I assume by silencing you mean cleaning the code by removing variables that are never used.
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Madu86
commented on June 15, 2024
@agoetz These are coming from libxc since we use only some parts of the code in CUDA version. We cannot remove them. Adding -Wno-unused-variable into C flag list should easily solve this.
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agoetz
commented on June 15, 2024
Ah, OK. Makes sense. But we should use that flag only for libxc. We don't want unused variables to sneak into our code. Thanks!
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agoetz
commented on June 15, 2024
@Madu86 was this addressed?
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Madu86
commented on June 15, 2024
Resolved in legacy build at the time but CMake build doesnt support NVIDIA compilers at the moment. Closing this issue now.
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Related Issues (20)
- Compilation failure with legacy build system
- QUICK compilation fails with DEBUG flag HOT 2
- How can MOLDEN and NBO files be generated using QUICK? HOT 6
- Unable to print hessian matrix and frequencies HOT 6
- MP2 documentation HOT 1
- How to get electrostatic field at specific points? HOT 1
- Differences in the HF energies for the cc-pVDZ basis set HOT 4
- GitHub CI tests fail
- unable to generate shared libraries... HOT 7
- request for variable numbers of atoms for QM calculations (in quick_api_module) HOT 8
- Isotope and dispersion correction HOT 1
- Add options for initial guess and refactor SCF convergence algorithms
- Problem with specifying number of optimization cycles HOT 2
- Geometry optimization fails in multi-GPU version HOT 5
- Improve gradient printout HOT 5
- CUDA version runs but molecules explode during optimization HOT 14
- Basis set superposition error? HOT 1
- Facing problem when running QM/MM with SANDER+QUICK HOT 2
- Printing issue in geometry optimization
- DFT energy of single atom no convergence
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