From owner-chemistry # - at - # ccl.net Wed Mar 1 15:10:01 2023 From: "Tobias Kraemer Tobias.Kraemer],[mu.ie" To: CCL Subject: CCL: [EXTERNAL] CCL: DLPNO-CCSDT job finished by error termination in MDCI Message-Id: <-54861-230301140819-20712-fUQoG0NQjZnvwa9iUGCCNQ##server.ccl.net> X-Original-From: Tobias Kraemer Content-Language: en-GB Content-Type: multipart/alternative; boundary="_000_DB8PR02MB55135D2F7C918247EB0FD8AF8BAD9DB8PR02MB5513eurp_" Date: Wed, 1 Mar 2023 19:08:04 +0000 MIME-Version: 1.0 Sent to CCL by: Tobias Kraemer [Tobias.Kraemer]_[mu.ie] --_000_DB8PR02MB55135D2F7C918247EB0FD8AF8BAD9DB8PR02MB5513eurp_ Content-Type: text/plain; charset="Windows-1252" Content-Transfer-Encoding: quoted-printable Dear Nikunj, This is potentially due to a memory issue. But it might be better to pose t= hat question in the ORCA Forum. Without more specific detail it=92s hard to= tell what=92s going on. Tobias Dr Tobias Kr=E4mer Assistant Professor of Inorganic Chemistry Maynooth University, Maynooth, Co. Kildare, Ireland. E: tobias.kraemer[]mu.ie T: +353 (0)1 474 7517 > From: owner-chemistry+tobias.kraemer=3D=3Dmu.ie[]ccl.net on behalf of Nikunj Kumar nkk749**gmail.co= m Date: Wednesday, 1 March 2023 at 18:26 To: Tobias Kraemer Subject: [EXTERNAL] CCL: DLPNO-CCSDT job finished by error termination in M= DCI *Warning* This email originated from outside of Maynooth University's Mail System. Do= not reply, click links or open attachments unless you recognise the sender= and know the content is safe. Sent to CCL by: "Nikunj Kumar" [nkk749++gmail.com] Hello everyone, I am trying to do single point calculation using DLPNO-CCSDT in ORCA 5.0.3.= My job runs for a while and it get terminated by itself showing the following error: ORCA finished by error termination in MDCI Calling Command: mpirun -np 12 --mca opal_common_ucx_opal_mem_hooks My system consist of 37 atoms/ Can someone please help me on how to deal with this error. -=3D This is automatically added to each message by the mailing script =3D-https://eur02.safelinks.protection.outlook.com/?url=3Dhttp%3A%2F%2Fww= w.ccl.net%2Fcgi-bin%2Fccl%2Fsend_ccl_message&data=3D05%7C01%7Ctobias.kraeme= r%40mu.ie%7C3fec6fff400a46a2fc1a08db1a82857a%7C1454f5ccbb354685bbd98621fd80= 55c9%7C0%7C0%7C638132920118110294%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwM= DAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C3000%7C%7C%7C&sdata=3Dy= 5Q1vxj5vxBQKywX2%2Ft2kfigZkLZvlAWFz2mw7A2SK8%3D&reserved=3D0https://eur02.safelinks.protection.outlook.com/?url=3Dhttp%3A%2F%2Fww= w.ccl.net%2Fcgi-bin%2Fccl%2Fsend_ccl_message&data=3D05%7C01%7Ctobias.kraeme= r%40mu.ie%7C3fec6fff400a46a2fc1a08db1a82857a%7C1454f5ccbb354685bbd98621fd80= 55c9%7C0%7C0%7C638132920118110294%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwM= DAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C3000%7C%7C%7C&sdata=3Dy= 5Q1vxj5vxBQKywX2%2Ft2kfigZkLZvlAWFz2mw7A2SK8%3D&reserved=3D0https://eur02.safelinks.protection.outlook.com/?url=3Dhttp%3A%2F%2Fww= w.ccl.net%2Fchemistry%2Fsub_unsub.shtml&data=3D05%7C01%7Ctobias.kraemer%40m= u.ie%7C3fec6fff400a46a2fc1a08db1a82857a%7C1454f5ccbb354685bbd98621fd8055c9%= 7C0%7C0%7C638132920118110294%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLC= JQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C3000%7C%7C%7C&sdata=3Dn1jPuX= N10XwFrWVM%2FVUpC%2FCUyOXHxJtg0tH5NsZffhU%3D&reserved=3D0 Before posting, check wait time at: https://eur02.safelinks.protection.outl= ook.com/?url=3Dhttp%3A%2F%2Fwww.ccl.net%2F&data=3D05%7C01%7Ctobias.kraemer%= 40mu.ie%7C3fec6fff400a46a2fc1a08db1a82857a%7C1454f5ccbb354685bbd98621fd8055= c9%7C0%7C0%7C638132920118110294%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDA= iLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C3000%7C%7C%7C&sdata=3D%2B= 7SbuVzeq%2BGadl1utp90Oe81bB9aZm2psa7RGOvl8Bk%3D&reserved=3D0 Job: https://eur02.safelinks.protection.outlook.com/?url=3Dhttp%3A%2F%2Fwww= .ccl.net%2Fjobs&data=3D05%7C01%7Ctobias.kraemer%40mu.ie%7C3fec6fff400a46a2f= c1a08db1a82857a%7C1454f5ccbb354685bbd98621fd8055c9%7C0%7C0%7C63813292011826= 6536%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik= 1haWwiLCJXVCI6Mn0%3D%7C3000%7C%7C%7C&sdata=3DvNxazjt9bL1YyFIshA2GqeG23%2FQs= Y9jYbElKjo311cs%3D&reserved=3D0 Conferences: https://eur02.safelinks.protection.outlook.com/?url=3Dhttp%3A%= 2F%2Fserver.ccl.net%2Fchemistry%2Fannouncements%2Fconferences%2F&data=3D05%= 7C01%7Ctobias.kraemer%40mu.ie%7C3fec6fff400a46a2fc1a08db1a82857a%7C1454f5cc= bb354685bbd98621fd8055c9%7C0%7C0%7C638132920118266536%7CUnknown%7CTWFpbGZsb= 3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C300= 0%7C%7C%7C&sdata=3DtBLwrfyT%2F2wv2Z6P9aJbCKLa2TAjuWPImqEBpILQEQs%3D&reserve= d=3D0 Search Messages: https://eur02.safelinks.protection.outlook.com/?url=3Dhttp= %3A%2F%2Fwww.ccl.net%2Fchemistry%2Fsearchccl%2Findex.shtml&data=3D05%7C01%7= Ctobias.kraemer%40mu.ie%7C3fec6fff400a46a2fc1a08db1a82857a%7C1454f5ccbb3546= 85bbd98621fd8055c9%7C0%7C0%7C638132920118266536%7CUnknown%7CTWFpbGZsb3d8eyJ= WIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C3000%7C%7= C%7C&sdata=3DG%2BtbaYak6nOb2%2BpMkskcrdN2OJ6q%2FGbdRVh8QWFW37w%3D&reserved= =3D0https://eur02.safelinks.protection.outlook.com/?url=3Dhttp%3A%2F%2Fww= w.ccl.net%2Fspammers.txt&data=3D05%7C01%7Ctobias.kraemer%40mu.ie%7C3fec6fff= 400a46a2fc1a08db1a82857a%7C1454f5ccbb354685bbd98621fd8055c9%7C0%7C0%7C63813= 2920118266536%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiL= CJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C3000%7C%7C%7C&sdata=3DbkOkhDOdecgCZuTCxWQ4X= bWLX1ix%2BkReNGIrTDYYQ4Q%3D&reserved=3D0 RTFI: https://eur02.safelinks.protection.outlook.com/?url=3Dhttp%3A%2F%2Fww= w.ccl.net%2Fchemistry%2Faboutccl%2Finstructions%2F&data=3D05%7C01%7Ctobias.= kraemer%40mu.ie%7C3fec6fff400a46a2fc1a08db1a82857a%7C1454f5ccbb354685bbd986= 21fd8055c9%7C0%7C0%7C638132920118266536%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4= wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C3000%7C%7C%7C&sda= ta=3DZpATtt5mVcwoBaTCESNSbWrVozlfFI0bwH5qDiCTN8E%3D&reserved=3D0 --_000_DB8PR02MB55135D2F7C918247EB0FD8AF8BAD9DB8PR02MB5513eurp_ Content-Type: text/html; charset="Windows-1252" Content-Transfer-Encoding: quoted-printable

Dear Nikunj,

 

 

This is potentially due to a memory issue. But it might be better t= o pose that question in the ORCA Forum. Without more specific detail it=92s= hard to tell what=92s going on.

 

Tobias

 

Dr Tobias Kr=E4mer

Assistant Professor of Inorganic Chemistry

Maynooth University, Maynooth, Co. Kildare, Ireland.

E: tobias.kr= aemer[]mu.ie T: +353 (0)1 474 7517

 

 

From: owner-chemistry+tob= ias.kraemer=3D=3Dmu.ie[]ccl.net <owner-chemistry+tobias.kraemer=3D=3Dmu.i= e[]ccl.net> on behalf of Nikunj Kumar nkk749**gmail.com <owner-chemist= ry[]ccl.net>
Date: Wednesday, 1 March 2023 at 18:26
To: Tobias Kraemer <Tobias.Kraemer[]mu.ie>
Subject: [EXTERNAL] CCL: DLPNO-CCSDT job finished by error terminati= on in MDCI

*Warning*

This email originated from outside of Maynooth University's Mail System. Do= not reply, click links or open attachments unless you recognise the sender= and know the content is safe.

Sent to CCL by: "Nikunj  Kumar" [nkk749++gmail.com]
Hello everyone,

I am trying to do single point calculation using DLPNO-CCSDT in ORCA 5.0.3.= My
job runs for a while and it get terminated by itself showing the following<= br> error:
ORCA finished by error termination in MDCI
Calling Command: mpirun -np 12 --mca opal_common_ucx_opal_mem_hooks


My system consist of 37 atoms/
Can someone please help me on how to deal with this error.



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