Task 38678795

Name test_635-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND6699_0
Workunit 31620600
Created 26 Oct 2026, 18:30:49 UTC
Sent 26 Oct 2026, 18:30:56 UTC
Report deadline 31 Oct 2026, 18:30:56 UTC
Received 26 Oct 2026, 19:22:32 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 517637
Run time 46 min 37 sec
CPU time 46 min 37 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,030.17 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 714.95 MB
Peak swap size 9.74 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
19:33:32 (27296): wrapper (7.9.26016): starting
19:33:32 (27296): 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
19:33:34 (27296): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:33:34 (27296): 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\22\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\22\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
20:20:30 (27296): C:/Windows/system32/cmd.exe exited; CPU time 2797.906250
20:20:30 (27296): 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: 48364841 bytes.
Dumping objects ->
{3835363} normal block at 0x0000020A5368B9F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835352} normal block at 0x0000020A5368B0C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835341} normal block at 0x0000020A53664D50, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835330} normal block at 0x0000020A53664CE0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835319} normal block at 0x0000020A53664DC0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835288} normal block at 0x0000020A55459040, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835277} normal block at 0x0000020A554A8550, 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) : {3835274} normal block at 0x0000020A5365F490, 8 bytes long.
 Data: <  &#175;S    > 00 00 AF 53 0A 02 00 00 
{3834606} normal block at 0x0000020A554A93C0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x0000020A5365F670, 8 bytes long.
 Data: <`JNU    > 60 4A 4E 55 0A 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000020A53661870, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000020A536566B0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x0000020A53666080, 16 bytes long.
 Data: <&#200;hfS            > C8 68 66 53 0A 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000020A53665A90, 16 bytes long.
 Data: <&#160;hfS            > A0 68 66 53 0A 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000020A5365FD40, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x0000020A53665D60, 16 bytes long.
 Data: <xhfS            > 78 68 66 53 0A 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020A53665AE0, 16 bytes long.
 Data: <PhfS            > 50 68 66 53 0A 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000020A53665680, 16 bytes long.
 Data: <(hfS            > 28 68 66 53 0A 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000020A536661C0, 16 bytes long.
 Data: < hfS            > 00 68 66 53 0A 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020A53664C70, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x0000020A53665D10, 16 bytes long.
 Data: < &#232;eS            > 08 E8 65 53 0A 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020A53660400, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x0000020A536660D0, 16 bytes long.
 Data: <&#224;&#231;eS            > E0 E7 65 53 0A 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020A53665CC0, 16 bytes long.
 Data: <&#184;&#231;eS            > B8 E7 65 53 0A 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020A536664E0, 16 bytes long.
 Data: < &#231;eS            > 90 E7 65 53 0A 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020A53665900, 16 bytes long.
 Data: <h&#231;eS            > 68 E7 65 53 0A 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020A53665A40, 16 bytes long.
 Data: <@&#231;eS            > 40 E7 65 53 0A 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020A53665C70, 16 bytes long.
 Data: < &#231;eS            > 18 E7 65 53 0A 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020A5365FCE0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x0000020A536657C0, 16 bytes long.
 Data: <&#240;&#230;eS            > F0 E6 65 53 0A 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020A5365E6F0, 320 bytes long.
 Data: <&#192;WfS    &#224;&#252;eS    > C0 57 66 53 0A 02 00 00 E0 FC 65 53 0A 02 00 00 
{278} normal block at 0x0000020A53666440, 16 bytes long.
 Data: <&#224;gfS            > E0 67 66 53 0A 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020A53665EA0, 16 bytes long.
 Data: <&#184;gfS            > B8 67 66 53 0A 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020A53660820, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x0000020A536658B0, 16 bytes long.
 Data: < gfS            > 90 67 66 53 0A 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020A536602E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x0000020A53665860, 16 bytes long.
 Data: <&#216;ffS            > D8 66 66 53 0A 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020A53665630, 16 bytes long.
 Data: <&#176;ffS            > B0 66 66 53 0A 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020A53666170, 16 bytes long.
 Data: < ffS            > 88 66 66 53 0A 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020A53665BD0, 16 bytes long.
 Data: <`ffS            > 60 66 66 53 0A 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020A53666300, 16 bytes long.
 Data: <8ffS            > 38 66 66 53 0A 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020A536663F0, 16 bytes long.
 Data: < ffS            > 10 66 66 53 0A 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020A536659A0, 16 bytes long.
 Data: < KfS            > 20 4B 66 53 0A 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020A53664B20, 40 bytes long.
 Data: <&#160;YfS    @ EU    > A0 59 66 53 0A 02 00 00 40 90 45 55 0A 02 00 00 
{264} normal block at 0x0000020A53666350, 16 bytes long.
 Data: <&#240;efS            > F0 65 66 53 0A 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020A53665B30, 16 bytes long.
 Data: <&#200;efS            > C8 65 66 53 0A 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020A536609A0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x0000020A53665C20, 16 bytes long.
 Data: <&#160;efS            > A0 65 66 53 0A 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020A536665A0, 992 bytes long.
 Data: < \fS    &#160;	fS    > 20 5C 66 53 0A 02 00 00 A0 09 66 53 0A 02 00 00 
{96} normal block at 0x0000020A5365FE60, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x0000020A5365EAE0, 16 bytes long.
 Data: <&#224;&#240;dS            > E0 F0 64 53 0A 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x0000020A5364F0E0, 40 bytes long.
 Data: <&#224;&#234;eS    `&#254;eS    > E0 EA 65 53 0A 02 00 00 60 FE 65 53 0A 02 00 00 
{73} normal block at 0x0000020A5365EF40, 16 bytes long.
 Data: < &#234;&#217;*&#246;           > 80 EA D9 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000020A5365EA90, 16 bytes long.
 Data: <@&#233;&#217;*&#246;           > 40 E9 D9 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000020A5365F7B0, 16 bytes long.
 Data: <&#248;W&#214;*&#246;           > F8 57 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000020A5365F4E0, 16 bytes long.
 Data: <&#216;W&#214;*&#246;           > D8 57 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000020A5365F1C0, 16 bytes long.
 Data: <P &#214;*&#246;           > 50 04 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000020A5365EEA0, 16 bytes long.
 Data: <0 &#214;*&#246;           > 30 04 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000020A5365EC20, 16 bytes long.
 Data: <&#224; &#214;*&#246;           > E0 02 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020A5365EE00, 16 bytes long.
 Data: <  &#214;*&#246;           > 10 04 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020A5365F9E0, 16 bytes long.
 Data: <p &#214;*&#246;           > 70 04 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020A5365F710, 16 bytes long.
 Data: < &#192;&#212;*&#246;           > 18 C0 D4 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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