Task 38685506

Name test_692-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND3496_0
Workunit 31626972
Created 27 Oct 2026, 21:26:38 UTC
Sent 27 Oct 2026, 21:26:44 UTC
Report deadline 1 Nov 2026, 21:26:44 UTC
Received 27 Oct 2026, 23:19:59 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 464555
Run time 37 min 23 sec
CPU time 36 min 49 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,117.86 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 688.42 MB
Peak swap size 6.85 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
23:42:47 (11284): wrapper (7.9.26016): starting
23:42:47 (11284): 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
23:42:48 (11284): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:42:48 (11284): 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:\BOINC\ProgramData\slots\2\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:\BOINC\ProgramData\slots\2\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
00:19:13 (11284): C:/Windows/system32/cmd.exe exited; CPU time 2209.765625
00:19:13 (11284): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 26456065 bytes.
Dumping objects ->
{3835238} normal block at 0x00000242D65D16B0, 48 bytes long.
 Data: <PATH=C:\BOINC\Pr> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835227} normal block at 0x00000242D65D1170, 48 bytes long.
 Data: <HOME=C:\BOINC\Pr> 48 4F 4D 45 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835216} normal block at 0x00000242D65D11E0, 48 bytes long.
 Data: <TMP=C:\BOINC\Pro> 54 4D 50 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 6F 
{3835205} normal block at 0x00000242D65D0D80, 48 bytes long.
 Data: <TEMP=C:\BOINC\Pr> 54 45 4D 50 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835194} normal block at 0x00000242D65D1640, 48 bytes long.
 Data: <TMPDIR=C:\BOINC\> 54 4D 50 44 49 52 3D 43 3A 5C 42 4F 49 4E 43 5C 
{3835163} normal block at 0x00000242D667C010, 64 bytes long.
 Data: <PATH=C:\BOINC\Pr> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835152} normal block at 0x00000242D4ACC350, 160 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) : {3835149} normal block at 0x00000242D4A77B30, 8 bytes long.
 Data: <  &#164;&#212;B   > 00 00 A4 D4 42 02 00 00 
{3834546} normal block at 0x00000242D4ACC430, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833949} normal block at 0x00000242D4A76E10, 8 bytes long.
 Data: <&#224;[`&#214;B   > E0 5B 60 D6 42 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x00000242D4A82040, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000242D4A661F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x00000242D4A835D0, 16 bytes long.
 Data: <&#184;C&#168;&#212;B           > B8 43 A8 D4 42 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000242D4A83D00, 16 bytes long.
 Data: < C&#168;&#212;B           > 90 43 A8 D4 42 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000242D4A7C570, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x00000242D4A838F0, 16 bytes long.
 Data: <hC&#168;&#212;B           > 68 43 A8 D4 42 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000242D4A836C0, 16 bytes long.
 Data: <@C&#168;&#212;B           > 40 43 A8 D4 42 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000242D4A83350, 16 bytes long.
 Data: < C&#168;&#212;B           > 18 43 A8 D4 42 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000242D4A83260, 16 bytes long.
 Data: <&#240;B&#168;&#212;B           > F0 42 A8 D4 42 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000242D4A7DAA0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x00000242D4A83760, 16 bytes long.
 Data: < a&#166;&#212;B           > 88 61 A6 D4 42 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000242D4A7C270, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x00000242D4A83210, 16 bytes long.
 Data: <`a&#166;&#212;B           > 60 61 A6 D4 42 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000242D4A83490, 16 bytes long.
 Data: <8a&#166;&#212;B           > 38 61 A6 D4 42 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000242D4A83300, 16 bytes long.
 Data: < a&#166;&#212;B           > 10 61 A6 D4 42 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000242D4A832B0, 16 bytes long.
 Data: <&#232;`&#166;&#212;B           > E8 60 A6 D4 42 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000242D4A831C0, 16 bytes long.
 Data: <&#192;`&#166;&#212;B           > C0 60 A6 D4 42 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000242D4A83A80, 16 bytes long.
 Data: < `&#166;&#212;B           > 98 60 A6 D4 42 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000242D4A7BC10, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x00000242D4A83CB0, 16 bytes long.
 Data: <p`&#166;&#212;B           > 70 60 A6 D4 42 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000242D4A66070, 320 bytes long.
 Data: <&#176;<&#168;&#212;B    &#188;&#167;&#212;B   > B0 3C A8 D4 42 02 00 00 10 BC A7 D4 42 02 00 00 
{270} normal block at 0x00000242D4A83800, 16 bytes long.
 Data: <&#208;B&#168;&#212;B           > D0 42 A8 D4 42 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000242D4A83670, 16 bytes long.
 Data: <&#168;B&#168;&#212;B           > A8 42 A8 D4 42 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000242D4A7C150, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x00000242D4A83170, 16 bytes long.
 Data: < B&#168;&#212;B           > 80 42 A8 D4 42 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000242D4A7C810, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x00000242D4A83120, 16 bytes long.
 Data: <&#200;A&#168;&#212;B           > C8 41 A8 D4 42 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000242D4A83580, 16 bytes long.
 Data: <&#160;A&#168;&#212;B           > A0 41 A8 D4 42 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000242D4A830D0, 16 bytes long.
 Data: <xA&#168;&#212;B           > 78 41 A8 D4 42 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000242D4A83FD0, 16 bytes long.
 Data: <PA&#168;&#212;B           > 50 41 A8 D4 42 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000242D4A83C60, 16 bytes long.
 Data: <(A&#168;&#212;B           > 28 41 A8 D4 42 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000242D4A83E40, 16 bytes long.
 Data: < A&#168;&#212;B           > 00 41 A8 D4 42 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000242D4A83620, 16 bytes long.
 Data: < &#222;&#167;&#212;B           > 20 DE A7 D4 42 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000242D4A7DE20, 40 bytes long.
 Data: < 6&#168;&#212;B    &#192;g&#214;B   > 20 36 A8 D4 42 02 00 00 10 C0 67 D6 42 02 00 00 
{256} normal block at 0x00000242D4A83DA0, 16 bytes long.
 Data: <&#224;@&#168;&#212;B           > E0 40 A8 D4 42 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000242D4A838A0, 16 bytes long.
 Data: <&#184;@&#168;&#212;B           > B8 40 A8 D4 42 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000242D4A7C030, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x00000242D4A83710, 16 bytes long.
 Data: < @&#168;&#212;B           > 90 40 A8 D4 42 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x00000242D4A84090, 992 bytes long.
 Data: < 7&#168;&#212;B   0&#192;&#167;&#212;B   > 10 37 A8 D4 42 02 00 00 30 C0 A7 D4 42 02 00 00 
{88} normal block at 0x00000242D4A7B970, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x00000242D4A77AE0, 16 bytes long.
 Data: < &#219;&#167;&#212;B           > 80 DB A7 D4 42 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x00000242D4A7DB80, 40 bytes long.
 Data: <&#224;z&#167;&#212;B   p&#185;&#167;&#212;B   > E0 7A A7 D4 42 02 00 00 70 B9 A7 D4 42 02 00 00 
{65} normal block at 0x00000242D4A777C0, 16 bytes long.
 Data: < &#234;&#227;i&#247;           > 80 EA E3 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000242D4A77360, 16 bytes long.
 Data: <@&#233;&#227;i&#247;           > 40 E9 E3 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000242D4A76D20, 16 bytes long.
 Data: <&#248;W&#224;i&#247;           > F8 57 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000242D4A77130, 16 bytes long.
 Data: <&#216;W&#224;i&#247;           > D8 57 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000242D4A76F50, 16 bytes long.
 Data: <P &#224;i&#247;           > 50 04 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000242D4A76BE0, 16 bytes long.
 Data: <0 &#224;i&#247;           > 30 04 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000242D4A77220, 16 bytes long.
 Data: <&#224; &#224;i&#247;           > E0 02 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000242D4A77A90, 16 bytes long.
 Data: <  &#224;i&#247;           > 10 04 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000242D4A76FA0, 16 bytes long.
 Data: <p &#224;i&#247;           > 70 04 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000242D4A77900, 16 bytes long.
 Data: < &#192;&#222;i&#247;           > 18 C0 DE 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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