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**Describe the bug**
Checking for socket compatibility currently requires running `srun path/to/sparc/executable` without the --name input which invokes stdout with/without -socket. This fails when t…
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I am attempting to configure the easyblock for gromacs (https://github.com/easybuilders/easybuild-easyblocks/blob/11870c2e93df143587b842cb93524f848418086c/easybuild/easyblocks/g/gromacs.py) with suppo…
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Hi all, I am wondering if there is support provided for compiling on SDSC comet(I used similar compiling strategy listed on the github wiki for Stampede2). I loaded the modules below and managed to ru…
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Intel changed MKL to be part of the oneAPI in the 2021 version. With that change the dll files within MKL changed somewhat. The most notable change is that `mkl_rt.dll` has been renamed to `mkl_rt.1.d…
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With minimal-toolchain=True in the config file i get:
```
$ eb CMake-3.5.2-foss-2016b.eb --try-toolchain-version=2016.09 --dry-run
== temporary log file in case of crash /scratch/eb-5zEfmJ/easybuild…
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I am not sure whether this is a bug or an intended feature, and appreciate some clarifications on Spack 0.19.2
First, I built Open MPI with the following command:
```
$spack install openmpi@4.1…
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**Describe the bug**
In [the test log](https://freebsd.org/~yuri/nwchem-7.2.3-tests.log) there are many failures:
```
Running tests/esp_uhf/esp_uhf
cleaning scratch
copying input…
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This page needs to be updated https://e4s-project.github.io/installation.html
It would be nice if the page was better formatted to suit code format instead of scrolling from left to right which is …