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AMP-USERS  June 2018

AMP-USERS June 2018

Subject:

Re: some problems about installation of Amp

From:

"El Khatib Rodriguez, Muammar" <[log in to unmask]>

Reply-To:

Amp Users List <[log in to unmask]>

Date:

Wed, 20 Jun 2018 15:57:16 -0400

Content-Type:

text/plain

Parts/Attachments:

Parts/Attachments

text/plain (29 lines)

Hi Mingxia,

On Wed, Jun 20, 2018 at 2:59 PM, Zhou, Mingxia <[log in to unmask]> wrote:
>
> Hi Muammar,
>
>
> Thank you for your help.
>
>
> You are right. They use two different versions of python. I create an environment for python 3.6 to run the test, it looks OK for previous several step. However, when go to Gaussian/Neural training non-periodic standard test, it shows as below and the test does not go further. I wait several hours and it still show like below. Is the test still running? Normally how long will it take?
>

For the time being, I would suggest you use Python2 instead. There
still is an issue that has to be fixed when using Amp with Python3. I
was debugging the problem some time ago without success but I should
look again at it. JFTR, the problem has to do with the communication
during the parallelization of fingerprint calculations.

Best,

-- 
Muammar W El Khatib Rodriguez
Postdoctoral Research Associate
Brown University School of Engineering
184 Hope Street
Providence, RI, 02912, USA
http://brown.edu/go/catalyst

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