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Martin Kurečka
Plumed AlphaFold
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001e5d2a
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001e5d2a
authored
7 years ago
by
Giovanni Bussi
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comments on tests (new for 2.4)
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@@ -341,18 +341,27 @@ or compile the manual. This is not a problem.
You can also check if PLUMED is correctly compiled by performing our regression tests.
Be warned that some of them fail because of the different numerical accuracy on different machines.
As of version 2.4, in order to test the
`plumed`
executable that you just compiled
(prior to installing it) you can use the following command
\v
erbatim
> make check
\e
ndverbatim
On the other hand, in order to test the
`plumed`
executable that you just installed (see
\r
ef InstallingPlumed)
you should type
\v
erbatim
> make installcheck
\e
ndverbatim
In addition, similarly to previous versions of PLUMED, you can test the
`plumed`
executable
that is in your current path with
\v
erbatim
> cd regtest
> make
\e
ndverbatim
Notice that regtests are performed using the "plumed" executable that is currenty in the path.
You can check the exact version they will use by using the command
\v
erbatim
> which plumed
\e
ndverbatim
This means that if you do not source "sourceme.sh", the tests will fails. This does not mean
that plumed is not working it just means that you haven't told them shell where to find plumed!
As a related note, you can easily run the test suite using a different version of PLUMED
Thus, you can easily run the test suite using a different version of PLUMED
(maybe an earlier version that you already installed), just making sure that it can be
found in the path. Clearly, if you test a given
version of PLUMED with a test suite from a different version you can expect two
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