Task 38674619

Name test_550-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND1430_0
Workunit 31616650
Created 26 Oct 2026, 5:50:55 UTC
Sent 26 Oct 2026, 5:51:00 UTC
Report deadline 31 Oct 2026, 5:51:00 UTC
Received 26 Oct 2026, 7:09:19 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 550955
Run time 52 min 6 sec
CPU time 47 min 2 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 23,243.30 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 730.65 MB
Peak swap size 9.90 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:17:18 (19196): wrapper (7.9.26016): starting
07:17:18 (19196): 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
07:17:20 (19196): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:17:20 (19196): 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\0\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\0\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
08:08:29 (19196): C:/Windows/system32/cmd.exe exited; CPU time 2822.578125
08:08:29 (19196): 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: 38811581 bytes.
Dumping objects ->
{3835234} normal block at 0x0000028103B7CDD0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x0000028103B7D3F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x0000028103B7D540, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835201} normal block at 0x0000028103B7C890, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835190} normal block at 0x0000028101D04FC0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835159} normal block at 0x0000028103BC8020, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835148} normal block at 0x0000028103BDE9D0, 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) : {3835145} normal block at 0x0000028101CFF570, 8 bytes long.
 Data: <  %     > 00 00 25 02 81 02 00 00 
{3834542} normal block at 0x0000028103BDE870, 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 0x0000028101CFEE40, 8 bytes long.
 Data: <&#208;3&#194;     > D0 33 C2 03 81 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000028101D01270, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000028101CF69B0, 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 0x0000028101D05940, 16 bytes long.
 Data: < i&#208;             > 08 69 D0 01 81 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000028101D058F0, 16 bytes long.
 Data: <&#224;h&#208;             > E0 68 D0 01 81 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000028101D003E0, 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 0x0000028101D062A0, 16 bytes long.
 Data: <&#184;h&#208;             > B8 68 D0 01 81 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000028101D06430, 16 bytes long.
 Data: < h&#208;             > 90 68 D0 01 81 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000028101D05990, 16 bytes long.
 Data: <hh&#208;             > 68 68 D0 01 81 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000028101D06250, 16 bytes long.
 Data: <@h&#208;             > 40 68 D0 01 81 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000028101D04C40, 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 0x0000028101D05C10, 16 bytes long.
 Data: <8&#232;&#207;             > 38 E8 CF 01 81 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000028101CFFE40, 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 0x0000028101D05A30, 16 bytes long.
 Data: < &#232;&#207;             > 10 E8 CF 01 81 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000028101D06200, 16 bytes long.
 Data: <&#232;&#231;&#207;             > E8 E7 CF 01 81 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000028101D06570, 16 bytes long.
 Data: <&#192;&#231;&#207;             > C0 E7 CF 01 81 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000028101D05BC0, 16 bytes long.
 Data: < &#231;&#207;             > 98 E7 CF 01 81 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000028101D059E0, 16 bytes long.
 Data: <p&#231;&#207;             > 70 E7 CF 01 81 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000028101D06390, 16 bytes long.
 Data: <H&#231;&#207;             > 48 E7 CF 01 81 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000028101D00740, 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 0x0000028101D058A0, 16 bytes long.
 Data: < &#231;&#207;             > 20 E7 CF 01 81 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000028101CFE720, 320 bytes long.
 Data: <&#160;X&#208;     @ &#208;     > A0 58 D0 01 81 02 00 00 40 07 D0 01 81 02 00 00 
{276} normal block at 0x0000028101D05B70, 16 bytes long.
 Data: < h&#208;             > 20 68 D0 01 81 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000028101D060C0, 16 bytes long.
 Data: <&#248;g&#208;             > F8 67 D0 01 81 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000028101CFFC00, 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 0x0000028101D06070, 16 bytes long.
 Data: <&#208;g&#208;             > D0 67 D0 01 81 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000028101CFFF60, 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 0x0000028101D05DA0, 16 bytes long.
 Data: < g&#208;             > 18 67 D0 01 81 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000028101D057B0, 16 bytes long.
 Data: <&#240;f&#208;             > F0 66 D0 01 81 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000028101D05D50, 16 bytes long.
 Data: <&#200;f&#208;             > C8 66 D0 01 81 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000028101D06520, 16 bytes long.
 Data: <&#160;f&#208;             > A0 66 D0 01 81 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000028101D05760, 16 bytes long.
 Data: <xf&#208;             > 78 66 D0 01 81 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000028101D06110, 16 bytes long.
 Data: <Pf&#208;             > 50 66 D0 01 81 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000028101D05850, 16 bytes long.
 Data: <&#224;N&#208;             > E0 4E D0 01 81 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000028101D04EE0, 40 bytes long.
 Data: <PX&#208;       &#188;     > 50 58 D0 01 81 02 00 00 20 80 BC 03 81 02 00 00 
{262} normal block at 0x0000028101D05710, 16 bytes long.
 Data: <0f&#208;             > 30 66 D0 01 81 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000028101D056C0, 16 bytes long.
 Data: < f&#208;             > 08 66 D0 01 81 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000028101D00380, 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 0x0000028101D061B0, 16 bytes long.
 Data: <&#224;e&#208;             > E0 65 D0 01 81 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000028101D065E0, 992 bytes long.
 Data: <&#176;a&#208;       &#208;     > B0 61 D0 01 81 02 00 00 80 03 D0 01 81 02 00 00 
{94} normal block at 0x0000028101D00320, 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 0x0000028101CFF480, 16 bytes long.
 Data: <&#240;J&#208;             > F0 4A D0 01 81 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000028101D04AF0, 40 bytes long.
 Data: < &#244;&#207;       &#208;     > 80 F4 CF 01 81 02 00 00 20 03 D0 01 81 02 00 00 
{71} normal block at 0x0000028101CFF390, 16 bytes long.
 Data: < &#234;9T&#246;           > 80 EA 39 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000028101CFEC60, 16 bytes long.
 Data: <@&#233;9T&#246;           > 40 E9 39 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000028101CFF2F0, 16 bytes long.
 Data: <&#248;W6T&#246;           > F8 57 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000028101CFF4D0, 16 bytes long.
 Data: <&#216;W6T&#246;           > D8 57 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000028101CFF2A0, 16 bytes long.
 Data: <P 6T&#246;           > 50 04 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000028101CFF660, 16 bytes long.
 Data: <0 6T&#246;           > 30 04 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000028101CFEAD0, 16 bytes long.
 Data: <&#224; 6T&#246;           > E0 02 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000028101CFF110, 16 bytes long.
 Data: <  6T&#246;           > 10 04 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000028101CFFA20, 16 bytes long.
 Data: <p 6T&#246;           > 70 04 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000028101CFF840, 16 bytes long.
 Data: < &#192;4T&#246;           > 18 C0 34 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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