Task 38695352

Name test_575-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND4817_0
Workunit 31636059
Created 31 Oct 2026, 9:33:33 UTC
Sent 31 Oct 2026, 9:33:38 UTC
Report deadline 5 Nov 2026, 9:33:38 UTC
Received 31 Oct 2026, 10:03:36 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 512671
Run time 29 min 24 sec
CPU time 27 min 53 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 13,451.30 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 716.25 MB
Peak swap size 9.82 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
05:35:09 (248736): wrapper (7.9.26016): starting
05:35:09 (248736): 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
05:35:10 (248736): Library/usr/bin/tar.exe exited; CPU time 0.046875
05:35:10 (248736): 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\24\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\24\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
06:03:17 (248736): C:/Windows/system32/cmd.exe exited; CPU time 1673.250000
06:03:17 (248736): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 42855589 bytes.
Dumping objects ->
{3835263} normal block at 0x000002ADFC4CDB20, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835252} normal block at 0x000002ADFA8258C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835241} normal block at 0x000002ADFA825850, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835230} normal block at 0x000002ADFA825770, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835219} normal block at 0x000002ADFA825690, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835188} normal block at 0x000002ADFC5183C0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835175} normal block at 0x000002ADFA81E280, 8 bytes long.
 Data: <  &#215;&#250;&#173;   > 00 00 D7 FA AD 02 00 00 
{3833965} normal block at 0x000002ADFA81DBA0, 8 bytes long.
 Data: < &#221; &#250;&#173;   > 00 DD 80 FA AD 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000002ADFA8218D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002ADFA816E30, 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 0x000002ADFA8269C0, 16 bytes long.
 Data: < r&#130;&#250;&#173;           > 08 72 82 FA AD 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002ADFA826BA0, 16 bytes long.
 Data: <&#224;q&#130;&#250;&#173;           > E0 71 82 FA AD 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002ADFA81FA00, 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 0x000002ADFA826970, 16 bytes long.
 Data: <&#184;q&#130;&#250;&#173;           > B8 71 82 FA AD 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002ADFA826100, 16 bytes long.
 Data: < q&#130;&#250;&#173;           > 90 71 82 FA AD 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002ADFA826380, 16 bytes long.
 Data: <hq&#130;&#250;&#173;           > 68 71 82 FA AD 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002ADFA826D30, 16 bytes long.
 Data: <@q&#130;&#250;&#173;           > 40 71 82 FA AD 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002ADFA8259A0, 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 0x000002ADFA826470, 16 bytes long.
 Data: < &#150; &#250;&#173;           > 88 96 81 FA AD 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002ADFA820720, 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 0x000002ADFA8264C0, 16 bytes long.
 Data: <`&#150; &#250;&#173;           > 60 96 81 FA AD 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002ADFA826920, 16 bytes long.
 Data: <8&#150; &#250;&#173;           > 38 96 81 FA AD 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002ADFA826CE0, 16 bytes long.
 Data: < &#150; &#250;&#173;           > 10 96 81 FA AD 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002ADFA8260B0, 16 bytes long.
 Data: <&#232;&#149; &#250;&#173;           > E8 95 81 FA AD 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002ADFA826C40, 16 bytes long.
 Data: <&#192;&#149; &#250;&#173;           > C0 95 81 FA AD 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002ADFA826B00, 16 bytes long.
 Data: < &#149; &#250;&#173;           > 98 95 81 FA AD 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002ADFA81F940, 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 0x000002ADFA826C90, 16 bytes long.
 Data: <p&#149; &#250;&#173;           > 70 95 81 FA AD 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002ADFA819570, 320 bytes long.
 Data: < l&#130;&#250;&#173;   @&#249; &#250;&#173;   > 90 6C 82 FA AD 02 00 00 40 F9 81 FA AD 02 00 00 
{278} normal block at 0x000002ADFA826830, 16 bytes long.
 Data: < q&#130;&#250;&#173;           > 20 71 82 FA AD 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002ADFA8267E0, 16 bytes long.
 Data: <&#248;p&#130;&#250;&#173;           > F8 70 82 FA AD 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002ADFA81FAC0, 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 0x000002ADFA826790, 16 bytes long.
 Data: <&#208;p&#130;&#250;&#173;           > D0 70 82 FA AD 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002ADFA8200C0, 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 0x000002ADFA826880, 16 bytes long.
 Data: < p&#130;&#250;&#173;           > 18 70 82 FA AD 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002ADFA826010, 16 bytes long.
 Data: <&#240;o&#130;&#250;&#173;           > F0 6F 82 FA AD 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002ADFA826B50, 16 bytes long.
 Data: <&#200;o&#130;&#250;&#173;           > C8 6F 82 FA AD 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002ADFA826650, 16 bytes long.
 Data: <&#160;o&#130;&#250;&#173;           > A0 6F 82 FA AD 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002ADFA826060, 16 bytes long.
 Data: <xo&#130;&#250;&#173;           > 78 6F 82 FA AD 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002ADFA825F20, 16 bytes long.
 Data: <Po&#130;&#250;&#173;           > 50 6F 82 FA AD 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002ADFA825FC0, 16 bytes long.
 Data: <0Y&#130;&#250;&#173;           > 30 59 82 FA AD 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002ADFA825930, 40 bytes long.
 Data: <&#192;_&#130;&#250;&#173;   &#192;&#131;Q&#252;&#173;   > C0 5F 82 FA AD 02 00 00 C0 83 51 FC AD 02 00 00 
{264} normal block at 0x000002ADFA826AB0, 16 bytes long.
 Data: <0o&#130;&#250;&#173;           > 30 6F 82 FA AD 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002ADFA826290, 16 bytes long.
 Data: < o&#130;&#250;&#173;           > 08 6F 82 FA AD 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002ADFA8204E0, 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 0x000002ADFA826740, 16 bytes long.
 Data: <&#224;n&#130;&#250;&#173;           > E0 6E 82 FA AD 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002ADFA826EE0, 992 bytes long.
 Data: <@g&#130;&#250;&#173;   &#224; &#130;&#250;&#173;   > 40 67 82 FA AD 02 00 00 E0 04 82 FA AD 02 00 00 
{96} normal block at 0x000002ADFA820000, 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 0x000002ADFA81E050, 16 bytes long.
 Data: <`&#216; &#250;&#173;           > 60 D8 80 FA AD 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000002ADFA80D860, 40 bytes long.
 Data: <P&#224; &#250;&#173;     &#130;&#250;&#173;   > 50 E0 81 FA AD 02 00 00 00 00 82 FA AD 02 00 00 
{73} normal block at 0x000002ADFA81E6E0, 16 bytes long.
 Data: < &#234;~&#192;&#247;           > 80 EA 7E C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002ADFA81E230, 16 bytes long.
 Data: <@&#233;~&#192;&#247;           > 40 E9 7E C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002ADFA81E5A0, 16 bytes long.
 Data: <&#248;W{&#192;&#247;           > F8 57 7B C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002ADFA81E460, 16 bytes long.
 Data: <&#216;W{&#192;&#247;           > D8 57 7B C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002ADFA81D7E0, 16 bytes long.
 Data: <P {&#192;&#247;           > 50 04 7B C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002ADFA81E320, 16 bytes long.
 Data: <0 {&#192;&#247;           > 30 04 7B C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002ADFA81DB50, 16 bytes long.
 Data: <&#224; {&#192;&#247;           > E0 02 7B C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002ADFA81E690, 16 bytes long.
 Data: <  {&#192;&#247;           > 10 04 7B C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002ADFA81DD30, 16 bytes long.
 Data: <p {&#192;&#247;           > 70 04 7B C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002ADFA81E2D0, 16 bytes long.
 Data: < &#192;y&#192;&#247;           > 18 C0 79 C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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