Task 38677167

Name test_190-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND6338_0
Workunit 31619049
Created 26 Oct 2026, 13:29:34 UTC
Sent 26 Oct 2026, 13:29:46 UTC
Report deadline 31 Oct 2026, 13:29:46 UTC
Received 26 Oct 2026, 14:18:42 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654845
Run time 26 min 3 sec
CPU time 19 min 57 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 32,075.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 727.22 MB
Peak swap size 1.67 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:52:25 (11200): wrapper (7.9.26016): starting
15:52:25 (11200): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
15:52:26 (11200): Library/usr/bin/tar.exe exited; CPU time 0.015625
15:52:26 (11200): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
  WARNING: The script pyaml.exe is installed in 'D:\ProgramData\BOINC\slots\1\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
  WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'D:\ProgramData\BOINC\slots\1\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
16:16:36 (11200): C:/Windows/system32/cmd.exe exited; CPU time 1197.125000
16:16:36 (11200): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 bytes in 8 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 17805273 bytes.
Dumping objects ->
{3835468} normal block at 0x000001DBA386C330, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835457} normal block at 0x000001DBA386C870, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835446} normal block at 0x000001DBA386C6B0, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835435} normal block at 0x000001DBA1E4AD10, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835424} normal block at 0x000001DBA1E4ACA0, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835393} normal block at 0x000001DBA38B4290, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835382} normal block at 0x000001DBA1F1D310, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835379} normal block at 0x000001DBA1E468E0, 8 bytes long.
 Data: <  &#216;&#161;&#219;   > 00 00 D8 A1 DB 01 00 00 
{3834658} normal block at 0x000001DBA1F1CEB0, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833947} normal block at 0x000001DBA1E46890, 8 bytes long.
 Data: <  &#145;&#163;&#219;   > 10 07 91 A3 DB 01 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x000001DBA1E4F9D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001DBA1E35B30, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x000001DBA1E50880, 16 bytes long.
 Data: <&#216;.&#229;&#161;&#219;           > D8 2E E5 A1 DB 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001DBA1E50A10, 16 bytes long.
 Data: <&#176;.&#229;&#161;&#219;           > B0 2E E5 A1 DB 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001DBA1E4C5A0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x000001DBA1E51320, 16 bytes long.
 Data: < .&#229;&#161;&#219;           > 88 2E E5 A1 DB 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001DBA1E50BF0, 16 bytes long.
 Data: <`.&#229;&#161;&#219;           > 60 2E E5 A1 DB 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001DBA1E50B50, 16 bytes long.
 Data: <8.&#229;&#161;&#219;           > 38 2E E5 A1 DB 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001DBA1E50920, 16 bytes long.
 Data: < .&#229;&#161;&#219;           > 10 2E E5 A1 DB 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001DBA1E4AE60, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x000001DBA1E50EC0, 16 bytes long.
 Data: <&#200;Z&#227;&#161;&#219;           > C8 5A E3 A1 DB 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001DBA1E4C6C0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x000001DBA1E51140, 16 bytes long.
 Data: <&#160;Z&#227;&#161;&#219;           > A0 5A E3 A1 DB 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001DBA1E50D80, 16 bytes long.
 Data: <xZ&#227;&#161;&#219;           > 78 5A E3 A1 DB 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001DBA1E50CE0, 16 bytes long.
 Data: <PZ&#227;&#161;&#219;           > 50 5A E3 A1 DB 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001DBA1E51230, 16 bytes long.
 Data: <(Z&#227;&#161;&#219;           > 28 5A E3 A1 DB 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001DBA1E511E0, 16 bytes long.
 Data: < Z&#227;&#161;&#219;           > 00 5A E3 A1 DB 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001DBA1E51280, 16 bytes long.
 Data: <&#216;Y&#227;&#161;&#219;           > D8 59 E3 A1 DB 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001DBA1E4C540, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x000001DBA1E50B00, 16 bytes long.
 Data: <&#176;Y&#227;&#161;&#219;           > B0 59 E3 A1 DB 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001DBA1E359B0, 320 bytes long.
 Data: <  &#229;&#161;&#219;   @&#197;&#228;&#161;&#219;   > 00 0B E5 A1 DB 01 00 00 40 C5 E4 A1 DB 01 00 00 
{269} normal block at 0x000001DBA1E51640, 16 bytes long.
 Data: <&#240;-&#229;&#161;&#219;           > F0 2D E5 A1 DB 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001DBA1E51000, 16 bytes long.
 Data: <&#200;-&#229;&#161;&#219;           > C8 2D E5 A1 DB 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001DBA1E4BF40, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x000001DBA1E51690, 16 bytes long.
 Data: <&#160;-&#229;&#161;&#219;           > A0 2D E5 A1 DB 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001DBA1E4BDC0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x000001DBA1E50830, 16 bytes long.
 Data: <&#232;,&#229;&#161;&#219;           > E8 2C E5 A1 DB 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001DBA1E507E0, 16 bytes long.
 Data: <&#192;,&#229;&#161;&#219;           > C0 2C E5 A1 DB 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001DBA1E510F0, 16 bytes long.
 Data: < ,&#229;&#161;&#219;           > 98 2C E5 A1 DB 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001DBA1E510A0, 16 bytes long.
 Data: <p,&#229;&#161;&#219;           > 70 2C E5 A1 DB 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001DBA1E515A0, 16 bytes long.
 Data: <H,&#229;&#161;&#219;           > 48 2C E5 A1 DB 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001DBA1E51550, 16 bytes long.
 Data: < ,&#229;&#161;&#219;           > 20 2C E5 A1 DB 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001DBA1E51500, 16 bytes long.
 Data: <p&#177;&#228;&#161;&#219;           > 70 B1 E4 A1 DB 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001DBA1E4B170, 40 bytes long.
 Data: <  &#229;&#161;&#219;    B&#139;&#163;&#219;   > 00 15 E5 A1 DB 01 00 00 90 42 8B A3 DB 01 00 00 
{255} normal block at 0x000001DBA1E50DD0, 16 bytes long.
 Data: < ,&#229;&#161;&#219;           > 00 2C E5 A1 DB 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001DBA1E50F60, 16 bytes long.
 Data: <&#216;+&#229;&#161;&#219;           > D8 2B E5 A1 DB 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001DBA1E4BEE0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x000001DBA1E51190, 16 bytes long.
 Data: <&#176;+&#229;&#161;&#219;           > B0 2B E5 A1 DB 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000001DBA1E52BB0, 992 bytes long.
 Data: <  &#229;&#161;&#219;   &#224;&#190;&#228;&#161;&#219;   > 90 11 E5 A1 DB 01 00 00 E0 BE E4 A1 DB 01 00 00 
{87} normal block at 0x000001DBA1E4CBA0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x000001DBA1E46AC0, 16 bytes long.
 Data: < &#173;&#228;&#161;&#219;           > 80 AD E4 A1 DB 01 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x000001DBA1E4AD80, 40 bytes long.
 Data: <&#192;j&#228;&#161;&#219;   &#160;&#203;&#228;&#161;&#219;   > C0 6A E4 A1 DB 01 00 00 A0 CB E4 A1 DB 01 00 00 
{64} normal block at 0x000001DBA1E45F30, 16 bytes long.
 Data: < &#234;3&#174;&#247;           > 80 EA 33 AE F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001DBA1E46840, 16 bytes long.
 Data: <@&#233;3&#174;&#247;           > 40 E9 33 AE F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001DBA1E45E90, 16 bytes long.
 Data: <&#248;W0&#174;&#247;           > F8 57 30 AE F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001DBA1E464D0, 16 bytes long.
 Data: <&#216;W0&#174;&#247;           > D8 57 30 AE F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001DBA1E45DF0, 16 bytes long.
 Data: <P 0&#174;&#247;           > 50 04 30 AE F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001DBA1E461B0, 16 bytes long.
 Data: <0 0&#174;&#247;           > 30 04 30 AE F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001DBA1E46610, 16 bytes long.
 Data: <&#224; 0&#174;&#247;           > E0 02 30 AE F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001DBA1E46C00, 16 bytes long.
 Data: <  0&#174;&#247;           > 10 04 30 AE F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001DBA1E46BB0, 16 bytes long.
 Data: <p 0&#174;&#247;           > 70 04 30 AE F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001DBA1E45DA0, 16 bytes long.
 Data: < &#192;.&#174;&#247;           > 18 C0 2E AE F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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