Task 38687605

Name test_729-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND7950_0
Workunit 31628989
Created 28 Oct 2026, 8:42:02 UTC
Sent 28 Oct 2026, 8:42:09 UTC
Report deadline 2 Nov 2026, 8:42:09 UTC
Received 28 Oct 2026, 10:21:38 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653191
Run time 23 min 55 sec
CPU time 22 min 2 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,239.72 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 731.12 MB
Peak swap size 6.93 GB
Peak disk usage 3.90 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:58:11 (12480): wrapper (7.9.26016): starting
10:58:11 (12480): 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
10:58:12 (12480): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:58:12 (12480): 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 'C:\ProgramData\BOINC\slots\3\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 'C:\ProgramData\BOINC\slots\3\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
11:21:06 (12480): C:/Windows/system32/cmd.exe exited; CPU time 1322.234375
11:21:06 (12480): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 21242875 bytes.
Dumping objects ->
{3835601} normal block at 0x000001D245AD0530, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835590} normal block at 0x000001D245ACF960, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835579} normal block at 0x000001D245ACFC00, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835568} normal block at 0x000001D245ACFC70, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835557} normal block at 0x000001D243E948F0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835526} normal block at 0x000001D245B46700, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835515} normal block at 0x000001D245B5E700, 102 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) : {3835512} normal block at 0x000001D243E8E760, 8 bytes long.
 Data: <  ED&#210;   > 00 00 45 44 D2 01 00 00 
{3834713} normal block at 0x000001D245B5E650, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x000001D243E8F200, 8 bytes long.
 Data: < Y E&#210;   > 90 59 BD 45 D2 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001D243E90B40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001D243E85CC0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000001D243E960E0, 16 bytes long.
 Data: <hg&#233;C&#210;           > 68 67 E9 43 D2 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001D243E95320, 16 bytes long.
 Data: <@g&#233;C&#210;           > 40 67 E9 43 D2 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001D243E8FE90, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000001D243E95910, 16 bytes long.
 Data: < g&#233;C&#210;           > 18 67 E9 43 D2 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001D243E95CD0, 16 bytes long.
 Data: <&#240;f&#233;C&#210;           > F0 66 E9 43 D2 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001D243E956E0, 16 bytes long.
 Data: <&#200;f&#233;C&#210;           > C8 66 E9 43 D2 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001D243E95370, 16 bytes long.
 Data: <&#160;f&#233;C&#210;           > A0 66 E9 43 D2 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001D243E946C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000001D243E95640, 16 bytes long.
 Data: < &#230;&#232;C&#210;           > 18 E6 E8 43 D2 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001D243E8FBF0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000001D243E95A50, 16 bytes long.
 Data: <&#240;&#229;&#232;C&#210;           > F0 E5 E8 43 D2 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001D243E95B40, 16 bytes long.
 Data: <&#200;&#229;&#232;C&#210;           > C8 E5 E8 43 D2 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001D243E961D0, 16 bytes long.
 Data: <&#160;&#229;&#232;C&#210;           > A0 E5 E8 43 D2 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001D243E954B0, 16 bytes long.
 Data: <x&#229;&#232;C&#210;           > 78 E5 E8 43 D2 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001D243E955F0, 16 bytes long.
 Data: <P&#229;&#232;C&#210;           > 50 E5 E8 43 D2 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001D243E95C80, 16 bytes long.
 Data: <(&#229;&#232;C&#210;           > 28 E5 E8 43 D2 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001D243E90190, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000001D243E95E60, 16 bytes long.
 Data: < &#229;&#232;C&#210;           > 00 E5 E8 43 D2 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001D243E8E500, 320 bytes long.
 Data: <`^&#233;C&#210;     &#233;C&#210;   > 60 5E E9 43 D2 01 00 00 90 01 E9 43 D2 01 00 00 
{276} normal block at 0x000001D243E95870, 16 bytes long.
 Data: < f&#233;C&#210;           > 80 66 E9 43 D2 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001D243E95AA0, 16 bytes long.
 Data: <Xf&#233;C&#210;           > 58 66 E9 43 D2 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001D243E8FA10, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000001D243E957D0, 16 bytes long.
 Data: <0f&#233;C&#210;           > 30 66 E9 43 D2 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001D243E8F890, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000001D243E96130, 16 bytes long.
 Data: <xe&#233;C&#210;           > 78 65 E9 43 D2 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001D243E95780, 16 bytes long.
 Data: <Pe&#233;C&#210;           > 50 65 E9 43 D2 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001D243E95FA0, 16 bytes long.
 Data: <(e&#233;C&#210;           > 28 65 E9 43 D2 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001D243E95F50, 16 bytes long.
 Data: < e&#233;C&#210;           > 00 65 E9 43 D2 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001D243E95730, 16 bytes long.
 Data: <&#216;d&#233;C&#210;           > D8 64 E9 43 D2 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001D243E959B0, 16 bytes long.
 Data: <&#176;d&#233;C&#210;           > B0 64 E9 43 D2 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001D243E95AF0, 16 bytes long.
 Data: <&#208;I&#233;C&#210;           > D0 49 E9 43 D2 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001D243E949D0, 40 bytes long.
 Data: <&#240;Z&#233;C&#210;    g&#180;E&#210;   > F0 5A E9 43 D2 01 00 00 00 67 B4 45 D2 01 00 00 
{262} normal block at 0x000001D243E95B90, 16 bytes long.
 Data: < d&#233;C&#210;           > 90 64 E9 43 D2 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001D243E95BE0, 16 bytes long.
 Data: <hd&#233;C&#210;           > 68 64 E9 43 D2 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001D243E90490, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000001D243E95FF0, 16 bytes long.
 Data: <@d&#233;C&#210;           > 40 64 E9 43 D2 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001D243E96440, 992 bytes long.
 Data: <&#240;_&#233;C&#210;     &#233;C&#210;   > F0 5F E9 43 D2 01 00 00 90 04 E9 43 D2 01 00 00 
{94} normal block at 0x000001D243E903D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000001D243E8F1B0, 16 bytes long.
 Data: <@J&#233;C&#210;           > 40 4A E9 43 D2 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001D243E94A40, 40 bytes long.
 Data: <&#176;&#241;&#232;C&#210;   &#208; &#233;C&#210;   > B0 F1 E8 43 D2 01 00 00 D0 03 E9 43 D2 01 00 00 
{71} normal block at 0x000001D243E8F020, 16 bytes long.
 Data: < &#234;8 &#246;           > 80 EA 38 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001D243E8F660, 16 bytes long.
 Data: <@&#233;8 &#246;           > 40 E9 38 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001D243E8F520, 16 bytes long.
 Data: <&#248;W5 &#246;           > F8 57 35 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001D243E8EFD0, 16 bytes long.
 Data: <&#216;W5 &#246;           > D8 57 35 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001D243E8ECB0, 16 bytes long.
 Data: <P 5 &#246;           > 50 04 35 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001D243E8EA30, 16 bytes long.
 Data: <0 5 &#246;           > 30 04 35 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001D243E8EDA0, 16 bytes long.
 Data: <&#224; 5 &#246;           > E0 02 35 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001D243E8EA80, 16 bytes long.
 Data: <  5 &#246;           > 10 04 35 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001D243E8F570, 16 bytes long.
 Data: <p 5 &#246;           > 70 04 35 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001D243E8F160, 16 bytes long.
 Data: < &#192;3 &#246;           > 18 C0 33 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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