<div dir="auto">Hi Martin,</div><div dir="auto">Are you able to share the hkl file? (Privately if necessary)</div><div dir="auto">I just wrote some steps for memory analysis here: <div dir="auto"><a href="https://github.com/cctbx/cctbx_project/blob/master/dox/rst/debug.md">https://github.com/cctbx/cctbx_project/blob/master/dox/rst/debug.md</a> so might be able to help. </div><div dir="auto">Dan</div></div><div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Mon, Nov 29, 2021 at 11:30 AM Martin Malý <<a href="mailto:martin.maly@ibt.cas.cz">martin.maly@ibt.cas.cz</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left-width:1px;border-left-style:solid;padding-left:1ex;border-left-color:rgb(204,204,204)">Dear PHENIX & CCTBX developers and users,<br>
<br>
I tried to calculate merging statistics with CCTBX tools using Python 3.<br>
I realized that the memory requirements are much higher comparing with<br>
Python 2... I closed all programs firstly so I had just 1.6 GB RAM used<br>
of 7.6 GB total RAM. Then I ran these two lines of code in the<br>
cctbx.python shell:<br>
<br>
import iotbx.merging_statistics<br>
i_obs = iotbx.merging_statistics.select_data(file_name="XDS_ASCII.HKL",<br>
data_labels=None)<br>
<br>
Python 2.7: The RAM usage went to 4.8 GB and then I was able to<br>
calculate merging statistics.<br>
Python 3.7: The module import was successful. Then the RAM usage went to<br>
total 7.6 GB and then the process was killed by the operating system<br>
(CentOS 7).<br>
<br>
Please, do you have any suggestion how to use this module "more<br>
carefully" and save memory?<br>
Thank you!<br>
Best regards,<br>
Martin Malý<br>
-----<br>
<br>
Upozornění: Není-li v této zprávě výslovně uvedeno jinak, má tato e-mailová zpráva nebo její přílohy pouze informativní charakter. Tato zpráva ani její přílohy v žádném ohledu Biotechnologický ústav AV ČR, v. v. i. k ničemu nezavazují. Text této zprávy nebo jejích příloh není návrhem na uzavření smlouvy, ani přijetím případného návrhu na uzavření smlouvy, ani jiným právním jednáním směřujícím k uzavření jakékoliv smlouvy a nezakládá předsmluvní odpovědnost Biotechnologického ústavu AV ČR, v. v. i.<br>
<br>
Disclaimer: If not expressly stated otherwise, this e-mail message (including any attached files) is intended purely for informational purposes and does not represent a binding agreement on the part of Institute of Biotechnology of the Czech Academy of Sciences. The text of this message and its attachments cannot be considered as a proposal to conclude a contract, nor the acceptance of a proposal to conclude a contract, nor any other legal act leading to concluding any contract, nor does it create any pre-contractual liability on the part of Institute of Biotechnology of the Czech Academy of Sciences.<br>
<br>
_______________________________________________<br>
phenixbb mailing list<br>
<a href="mailto:phenixbb@phenix-online.org" target="_blank">phenixbb@phenix-online.org</a><br>
<a href="http://phenix-online.org/mailman/listinfo/phenixbb" rel="noreferrer" target="_blank">http://phenix-online.org/mailman/listinfo/phenixbb</a><br>
Unsubscribe: <a href="mailto:phenixbb-leave@phenix-online.org" target="_blank">phenixbb-leave@phenix-online.org</a><br>
</blockquote></div></div>