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OpenDAS
torchani
Commits
7cf6823a
Unverified
Commit
7cf6823a
authored
Jan 27, 2021
by
Jinze Xue
Committed by
GitHub
Jan 27, 2021
Browse files
Update README.md (#563)
parent
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torchani/cuaev/README.md
View file @
7cf6823a
...
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@@ -10,10 +10,11 @@ cd torchani
# install by
python setup.py
install
--cuaev
# or for development
pip
install
-e
.
--global-option
=
"--cuaev"
# `pip install -e . && ` is only needed for the very first install (because issue of https://github.com/pypa/pip/issues/1883)
pip
install
-e
.
&&
pip
install
-e
.
--global-option
=
"--cuaev"
```
Notes for install on Hipergator
<del>
Notes for install on Hipergator
</del>
(Currently not working because Pytorch dropped the official build for cuda/10.0)
```
bash
srun
-p
gpu
--gpus
=
geforce:1
--time
=
01:00:00
--mem
=
10gb
--pty
-u
bash
-i
# compile may fail because of low on memery (when memery is less than 5gb)
conda
install
pytorch torchvision
cudatoolkit
=
10.0
-c
pytorch
# make sure it's cudatoolkit=10.0
...
...
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