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I'd like to start discussion on URLs in easyconfigs.
### CI check
It would be nice to have CI checks of upstream - might be done with https://github.com/dkhamsing/awesome_bot
There are issues l…
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Hi,
I'm reinstalling cactus due to conflict in the environment.
I recompiled the `kyoto` libraries. Now what I did was
```
git clone https://github.com/ComparativeGenomicsToolkit/cactus.git
c…
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Here's my toolchain command:
```
./install_cp2k_toolchain.sh \
--install-all \
--enable-cuda \
--gpu-ver=V100 \
--with-gcc \
--with-cmake \
--with-ninja \
--with…
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Hi,
I am trying to install scipion in my cluster and I found some issues when trying to use my openmpi installation in a custom path.
Before the installation I have defined `MPI_INCLUDE` and `MPI_L…
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App won't launch on interactive node, will launch on hugemem and compute
`Script starting...
Waiting for RStudio Server to open port 20128...
Currently Loaded Modules:
1) RStudio-Server/2023…
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Dear plumed developers,
I am a Supercomputing Applications Specialist at Pawsey Supercomputing Centre. I have patched gromacs/2021 with plumed2/2.7.2 and I have run a test case provided by a user. …
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Hello. I am currently using Mac M1. And running the following code ( the file in ```/spyro/paper/run_fwi_2d.py```). It shows the error from the pybind11 ``` ROL.Algorithm("Line Search", params)```. D…
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### Describe the bug
When compile ABACUS by gcc-toolchain with LibComm 0.1.1, Error occurs:
```
In file included from /lustre/home/2201110432/lib/libcomm/0.1.1/include/Comm/Comm_Assemble/../Comm_Ke…
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### Details
When I install latest `develop` with oneAPI 2024.2, I failed to run examples/scf/lcao_Cu with errors:
```bash
We recommend [Intel® oneAPI toolkit](https://software.intel.com/content/w…
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### Issue type
Bug
### Have you reproduced the bug with TensorFlow Nightly?
Yes
### Source
source
### TensorFlow version
tf 2.13.0
### Custom code
No
### OS platform and distribution
_No re…