Task 38686009

Name test_536-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND4289_0
Workunit 31627458
Created 28 Oct 2026, 0:10:08 UTC
Sent 28 Oct 2026, 0:10:19 UTC
Report deadline 2 Nov 2026, 0:10:19 UTC
Received 28 Oct 2026, 1:05:30 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648534
Run time 24 min 33 sec
CPU time 24 min 33 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 748.91 MB
Peak swap size 11.54 GB
Peak disk usage 4.12 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:38:47 (30768): wrapper (7.9.26016): starting
01:38:47 (30768): 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
01:38:48 (30768): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:38:48 (30768): 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
02:05:03 (30768): C:/Windows/system32/cmd.exe exited; CPU time 1473.562500
02:05:03 (30768): 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: 35574607 bytes.
Dumping objects ->
{3835281} normal block at 0x000002637C5EBA60, 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 0x000002637C5EB910, 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 0x000002637C5EB3D0, 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 0x000002637A862BC0, 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 0x000002637A8632C0, 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 0x000002637C6346A0, 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 0x000002637C64C8B0, 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 0x000002637A85E780, 8 bytes long.
 Data: <  &#131;zc   > 00 00 83 7A 63 02 00 00 
{3834568} normal block at 0x000002637C64CAC0, 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 0x000002637A85EA50, 8 bytes long.
 Data: <  d|c   > 20 8F 64 7C 63 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000002637A856500, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002637A857AC0, 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 0x000002637A863E20, 16 bytes long.
 Data: <&#184;J&#134;zc           > B8 4A 86 7A 63 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002637A863510, 16 bytes long.
 Data: < J&#134;zc           > 90 4A 86 7A 63 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002637A85FA80, 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 0x000002637A863B00, 16 bytes long.
 Data: <hJ&#134;zc           > 68 4A 86 7A 63 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002637A863B50, 16 bytes long.
 Data: <@J&#134;zc           > 40 4A 86 7A 63 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002637A8634C0, 16 bytes long.
 Data: < J&#134;zc           > 18 4A 86 7A 63 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002637A863470, 16 bytes long.
 Data: <&#240;I&#134;zc           > F0 49 86 7A 63 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002637A862C30, 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 0x000002637A863420, 16 bytes long.
 Data: < &#243;&#132;zc           > 08 F3 84 7A 63 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002637A85F120, 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 0x000002637A863BF0, 16 bytes long.
 Data: <&#224;&#242;&#132;zc           > E0 F2 84 7A 63 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002637A8633D0, 16 bytes long.
 Data: <&#184;&#242;&#132;zc           > B8 F2 84 7A 63 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002637A8641E0, 16 bytes long.
 Data: < &#242;&#132;zc           > 90 F2 84 7A 63 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002637A863790, 16 bytes long.
 Data: <h&#242;&#132;zc           > 68 F2 84 7A 63 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002637A863CE0, 16 bytes long.
 Data: <@&#242;&#132;zc           > 40 F2 84 7A 63 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002637A863C90, 16 bytes long.
 Data: < &#242;&#132;zc           > 18 F2 84 7A 63 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002637A85F960, 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 0x000002637A864190, 16 bytes long.
 Data: <&#240;&#241;&#132;zc           > F0 F1 84 7A 63 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002637A84F1F0, 320 bytes long.
 Data: < A&#134;zc   `&#249;&#133;zc   > 90 41 86 7A 63 02 00 00 60 F9 85 7A 63 02 00 00 
{277} normal block at 0x000002637A864320, 16 bytes long.
 Data: <&#208;I&#134;zc           > D0 49 86 7A 63 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002637A8640F0, 16 bytes long.
 Data: <&#168;I&#134;zc           > A8 49 86 7A 63 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002637A85F300, 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 0x000002637A863920, 16 bytes long.
 Data: < I&#134;zc           > 80 49 86 7A 63 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002637A85ED00, 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 0x000002637A863970, 16 bytes long.
 Data: <&#200;H&#134;zc           > C8 48 86 7A 63 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002637A863F60, 16 bytes long.
 Data: <&#160;H&#134;zc           > A0 48 86 7A 63 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002637A8638D0, 16 bytes long.
 Data: <xH&#134;zc           > 78 48 86 7A 63 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002637A8640A0, 16 bytes long.
 Data: <PH&#134;zc           > 50 48 86 7A 63 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002637A864280, 16 bytes long.
 Data: <(H&#134;zc           > 28 48 86 7A 63 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002637A863A60, 16 bytes long.
 Data: < H&#134;zc           > 00 48 86 7A 63 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002637A8642D0, 16 bytes long.
 Data: <&#176;/&#134;zc           > B0 2F 86 7A 63 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002637A862FB0, 40 bytes long.
 Data: <&#208;B&#134;zc   &#160;Fc|c   > D0 42 86 7A 63 02 00 00 A0 46 63 7C 63 02 00 00 
{263} normal block at 0x000002637A863BA0, 16 bytes long.
 Data: <&#224;G&#134;zc           > E0 47 86 7A 63 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002637A863A10, 16 bytes long.
 Data: <&#184;G&#134;zc           > B8 47 86 7A 63 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002637A85EF40, 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 0x000002637A864050, 16 bytes long.
 Data: < G&#134;zc           > 90 47 86 7A 63 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002637A864790, 992 bytes long.
 Data: <P@&#134;zc   @&#239;&#133;zc   > 50 40 86 7A 63 02 00 00 40 EF 85 7A 63 02 00 00 
{95} normal block at 0x000002637A85F900, 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 0x000002637A85E4B0, 16 bytes long.
 Data: <&#160;,&#134;zc           > A0 2C 86 7A 63 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000002637A862CA0, 40 bytes long.
 Data: <&#176;&#228;&#133;zc    &#249;&#133;zc   > B0 E4 85 7A 63 02 00 00 00 F9 85 7A 63 02 00 00 
{72} normal block at 0x000002637A85EA00, 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 0x000002637A85DFB0, 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 0x000002637A85E820, 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 0x000002637A85E870, 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 0x000002637A85E910, 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 0x000002637A85E730, 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 0x000002637A85E0A0, 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 0x000002637A85E280, 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 0x000002637A85E5F0, 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 0x000002637A85DDD0, 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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