Task 38683893

Name test_760-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND0074_0
Workunit 31625431
Created 27 Oct 2026, 13:49:23 UTC
Sent 27 Oct 2026, 13:49:31 UTC
Report deadline 1 Nov 2026, 13:49:31 UTC
Received 27 Oct 2026, 14:21:41 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648534
Run time 25 min 14 sec
CPU time 25 min 14 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 56,774.19 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 753.98 MB
Peak swap size 11.55 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:54:23 (21648): wrapper (7.9.26016): starting
14:54:23 (21648): 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
14:54:24 (21648): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:54:24 (21648): 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\26\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\26\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
15:21:07 (21648): C:/Windows/system32/cmd.exe exited; CPU time 1514.875000
15:21:07 (21648): 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: 35877969 bytes.
Dumping objects ->
{3835281} normal block at 0x000002E5B2CDA840, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835270} normal block at 0x000002E5B2CDB3A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835259} normal block at 0x000002E5B2CDAE60, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835248} normal block at 0x000002E5B0FA2C00, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835237} normal block at 0x000002E5B0FA2B90, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835206} normal block at 0x000002E5B2D29060, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835195} normal block at 0x000002E5B2D3C310, 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) : {3835192} normal block at 0x000002E5B0F9DB40, 8 bytes long.
 Data: <  G&#177;&#229;   > 00 00 47 B1 E5 02 00 00 
{3834568} normal block at 0x000002E5B2D3CB50, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x000002E5B0F9E720, 8 bytes long.
 Data: < &#134;&#211;&#178;&#229;   > 20 86 D3 B2 E5 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000002E5B0F97920, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002E5B0F8F4E0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x000002E5B0FA35A0, 16 bytes long.
 Data: < F&#250;&#176;&#229;           > 98 46 FA B0 E5 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002E5B0FA3550, 16 bytes long.
 Data: <pF&#250;&#176;&#229;           > 70 46 FA B0 E5 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002E5B0F9F480, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x000002E5B0FA3B40, 16 bytes long.
 Data: <HF&#250;&#176;&#229;           > 48 46 FA B0 E5 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002E5B0FA3A50, 16 bytes long.
 Data: < F&#250;&#176;&#229;           > 20 46 FA B0 E5 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002E5B0FA3C80, 16 bytes long.
 Data: <&#248;E&#250;&#176;&#229;           > F8 45 FA B0 E5 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002E5B0FA31E0, 16 bytes long.
 Data: <&#208;E&#250;&#176;&#229;           > D0 45 FA B0 E5 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002E5B0FA2EA0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x000002E5B0FA3A00, 16 bytes long.
 Data: <X&#215;&#249;&#176;&#229;           > 58 D7 F9 B0 E5 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002E5B0F9EB20, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x000002E5B0FA3410, 16 bytes long.
 Data: <0&#215;&#249;&#176;&#229;           > 30 D7 F9 B0 E5 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002E5B0FA3E10, 16 bytes long.
 Data: < &#215;&#249;&#176;&#229;           > 08 D7 F9 B0 E5 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002E5B0FA3AF0, 16 bytes long.
 Data: <&#224;&#214;&#249;&#176;&#229;           > E0 D6 F9 B0 E5 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002E5B0FA39B0, 16 bytes long.
 Data: <&#184;&#214;&#249;&#176;&#229;           > B8 D6 F9 B0 E5 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002E5B0FA3870, 16 bytes long.
 Data: < &#214;&#249;&#176;&#229;           > 90 D6 F9 B0 E5 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002E5B0FA3D70, 16 bytes long.
 Data: <h&#214;&#249;&#176;&#229;           > 68 D6 F9 B0 E5 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002E5B0F9EDC0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x000002E5B0FA3CD0, 16 bytes long.
 Data: <@&#214;&#249;&#176;&#229;           > 40 D6 F9 B0 E5 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002E5B0F9D640, 320 bytes long.
 Data: <&#208;<&#250;&#176;&#229;   &#192;&#237;&#249;&#176;&#229;   > D0 3C FA B0 E5 02 00 00 C0 ED F9 B0 E5 02 00 00 
{277} normal block at 0x000002E5B0FA3500, 16 bytes long.
 Data: <&#176;E&#250;&#176;&#229;           > B0 45 FA B0 E5 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002E5B0FA3960, 16 bytes long.
 Data: < E&#250;&#176;&#229;           > 88 45 FA B0 E5 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002E5B0F9F3C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x000002E5B0FA35F0, 16 bytes long.
 Data: <`E&#250;&#176;&#229;           > 60 45 FA B0 E5 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002E5B0F9F240, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x000002E5B0FA3820, 16 bytes long.
 Data: <&#168;D&#250;&#176;&#229;           > A8 44 FA B0 E5 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002E5B0FA38C0, 16 bytes long.
 Data: < D&#250;&#176;&#229;           > 80 44 FA B0 E5 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002E5B0FA33C0, 16 bytes long.
 Data: <XD&#250;&#176;&#229;           > 58 44 FA B0 E5 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002E5B0FA3DC0, 16 bytes long.
 Data: <0D&#250;&#176;&#229;           > 30 44 FA B0 E5 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002E5B0FA3D20, 16 bytes long.
 Data: < D&#250;&#176;&#229;           > 08 44 FA B0 E5 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002E5B0FA30A0, 16 bytes long.
 Data: <&#224;C&#250;&#176;&#229;           > E0 43 FA B0 E5 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002E5B0FA3050, 16 bytes long.
 Data: <@*&#250;&#176;&#229;           > 40 2A FA B0 E5 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002E5B0FA2A40, 40 bytes long.
 Data: <P0&#250;&#176;&#229;   ` &#210;&#178;&#229;   > 50 30 FA B0 E5 02 00 00 60 90 D2 B2 E5 02 00 00 
{263} normal block at 0x000002E5B0FA34B0, 16 bytes long.
 Data: <&#192;C&#250;&#176;&#229;           > C0 43 FA B0 E5 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002E5B0FA3230, 16 bytes long.
 Data: < C&#250;&#176;&#229;           > 98 43 FA B0 E5 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002E5B0F9F360, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x000002E5B0FA3280, 16 bytes long.
 Data: <pC&#250;&#176;&#229;           > 70 43 FA B0 E5 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002E5B0FA4370, 992 bytes long.
 Data: < 2&#250;&#176;&#229;   `&#243;&#249;&#176;&#229;   > 80 32 FA B0 E5 02 00 00 60 F3 F9 B0 E5 02 00 00 
{95} normal block at 0x000002E5B0F9F300, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000002E5B0F9E450, 16 bytes long.
 Data: <&#224;,&#250;&#176;&#229;           > E0 2C FA B0 E5 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000002E5B0FA2CE0, 40 bytes long.
 Data: <P&#228;&#249;&#176;&#229;    &#243;&#249;&#176;&#229;   > 50 E4 F9 B0 E5 02 00 00 00 F3 F9 B0 E5 02 00 00 
{72} normal block at 0x000002E5B0F9E400, 16 bytes long.
 Data: < &#234; i&#246;           > 80 EA 01 69 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002E5B0F9E770, 16 bytes long.
 Data: <@&#233; i&#246;           > 40 E9 01 69 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002E5B0F9DDC0, 16 bytes long.
 Data: <&#248;W&#254;h&#246;           > F8 57 FE 68 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002E5B0F9DAA0, 16 bytes long.
 Data: <&#216;W&#254;h&#246;           > D8 57 FE 68 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002E5B0F9DF00, 16 bytes long.
 Data: <P &#254;h&#246;           > 50 04 FE 68 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002E5B0F9E590, 16 bytes long.
 Data: <0 &#254;h&#246;           > 30 04 FE 68 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002E5B0F9E220, 16 bytes long.
 Data: <&#224; &#254;h&#246;           > E0 02 FE 68 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002E5B0F9E5E0, 16 bytes long.
 Data: <  &#254;h&#246;           > 10 04 FE 68 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002E5B0F9DC80, 16 bytes long.
 Data: <p &#254;h&#246;           > 70 04 FE 68 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002E5B0F9E2C0, 16 bytes long.
 Data: < &#192;&#252;h&#246;           > 18 C0 FC 68 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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