Task 38672760

Name test_477-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND8646_1
Workunit 31614094
Created 26 Oct 2026, 0:23:42 UTC
Sent 26 Oct 2026, 0:23:48 UTC
Report deadline 31 Oct 2026, 0:23:48 UTC
Received 26 Oct 2026, 0:56:02 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 639137
Run time 31 min 16 sec
CPU time 28 min 32 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 720.75 MB
Peak swap size 8.31 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
04:25:36 (53728): wrapper (7.9.26016): starting
04:25:36 (53728): 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
04:25:38 (53728): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:25:38 (53728): 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\10\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\10\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
04:55:22 (53728): C:/Windows/system32/cmd.exe exited; CPU time 1712.468750
04:55:22 (53728): 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: 48394517 bytes.
Dumping objects ->
{3835387} normal block at 0x00000225F980C710, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835376} normal block at 0x00000225F980C860, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835365} normal block at 0x00000225F7A95290, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835354} normal block at 0x00000225F7A950D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835343} normal block at 0x00000225F7A94E30, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835312} normal block at 0x00000225F9855F00, 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) : {3835299} normal block at 0x00000225F7A8DDC0, 8 bytes long.
 Data: <  &#166;&#247;%   > 00 00 A6 F7 25 02 00 00 
{3833968} normal block at 0x00000225F7A8E0E0, 8 bytes long.
 Data: <`&#215;&#167;&#247;%   > 60 D7 A7 F7 25 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000225F7A91350, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000225F7A86640, 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 0x00000225F7A95AE0, 16 bytes long.
 Data: <(m&#169;&#247;%           > 28 6D A9 F7 25 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000225F7A968A0, 16 bytes long.
 Data: < m&#169;&#247;%           > 00 6D A9 F7 25 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000225F7A90140, 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 0x00000225F7A964E0, 16 bytes long.
 Data: <&#216;l&#169;&#247;%           > D8 6C A9 F7 25 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000225F7A96800, 16 bytes long.
 Data: <&#176;l&#169;&#247;%           > B0 6C A9 F7 25 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000225F7A96350, 16 bytes long.
 Data: < l&#169;&#247;%           > 88 6C A9 F7 25 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000225F7A96210, 16 bytes long.
 Data: <`l&#169;&#247;%           > 60 6C A9 F7 25 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000225F7A951B0, 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 0x00000225F7A96120, 16 bytes long.
 Data: <(&#230;&#167;&#247;%           > 28 E6 A7 F7 25 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000225F7A905C0, 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 0x00000225F7A960D0, 16 bytes long.
 Data: < &#230;&#167;&#247;%           > 00 E6 A7 F7 25 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000225F7A966C0, 16 bytes long.
 Data: <&#216;&#229;&#167;&#247;%           > D8 E5 A7 F7 25 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000225F7A96760, 16 bytes long.
 Data: <&#176;&#229;&#167;&#247;%           > B0 E5 A7 F7 25 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000225F7A95D10, 16 bytes long.
 Data: < &#229;&#167;&#247;%           > 88 E5 A7 F7 25 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000225F7A95BD0, 16 bytes long.
 Data: <`&#229;&#167;&#247;%           > 60 E5 A7 F7 25 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000225F7A961C0, 16 bytes long.
 Data: <8&#229;&#167;&#247;%           > 38 E5 A7 F7 25 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000225F7A8FF60, 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 0x00000225F7A962B0, 16 bytes long.
 Data: < &#229;&#167;&#247;%           > 10 E5 A7 F7 25 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000225F7A7E510, 320 bytes long.
 Data: <&#176;b&#169;&#247;%   `&#255;&#168;&#247;%   > B0 62 A9 F7 25 02 00 00 60 FF A8 F7 25 02 00 00 
{277} normal block at 0x00000225F7A963F0, 16 bytes long.
 Data: <@l&#169;&#247;%           > 40 6C A9 F7 25 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000225F7A95A90, 16 bytes long.
 Data: < l&#169;&#247;%           > 18 6C A9 F7 25 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000225F7A906E0, 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 0x00000225F7A963A0, 16 bytes long.
 Data: <&#240;k&#169;&#247;%           > F0 6B A9 F7 25 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000225F7A90620, 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 0x00000225F7A96260, 16 bytes long.
 Data: <8k&#169;&#247;%           > 38 6B A9 F7 25 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000225F7A95CC0, 16 bytes long.
 Data: < k&#169;&#247;%           > 10 6B A9 F7 25 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000225F7A96300, 16 bytes long.
 Data: <&#232;j&#169;&#247;%           > E8 6A A9 F7 25 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000225F7A95A40, 16 bytes long.
 Data: <&#192;j&#169;&#247;%           > C0 6A A9 F7 25 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000225F7A95C70, 16 bytes long.
 Data: < j&#169;&#247;%           > 98 6A A9 F7 25 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000225F7A96580, 16 bytes long.
 Data: <pj&#169;&#247;%           > 70 6A A9 F7 25 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000225F7A95FE0, 16 bytes long.
 Data: <&#160;N&#169;&#247;%           > A0 4E A9 F7 25 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000225F7A94EA0, 40 bytes long.
 Data: <&#224;_&#169;&#247;%    _&#133;&#249;%   > E0 5F A9 F7 25 02 00 00 00 5F 85 F9 25 02 00 00 
{263} normal block at 0x00000225F7A967B0, 16 bytes long.
 Data: <Pj&#169;&#247;%           > 50 6A A9 F7 25 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000225F7A95B30, 16 bytes long.
 Data: <(j&#169;&#247;%           > 28 6A A9 F7 25 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000225F7A8FC60, 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 0x00000225F7A96710, 16 bytes long.
 Data: < j&#169;&#247;%           > 00 6A A9 F7 25 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000225F7A96A00, 992 bytes long.
 Data: < g&#169;&#247;%   `&#252;&#168;&#247;%   > 10 67 A9 F7 25 02 00 00 60 FC A8 F7 25 02 00 00 
{95} normal block at 0x00000225F7A90020, 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 0x00000225F7A8D820, 16 bytes long.
 Data: < O&#169;&#247;%           > 10 4F A9 F7 25 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x00000225F7A94F10, 40 bytes long.
 Data: < &#216;&#168;&#247;%     &#169;&#247;%   > 20 D8 A8 F7 25 02 00 00 20 00 A9 F7 25 02 00 00 
{72} normal block at 0x00000225F7A8E310, 16 bytes long.
 Data: < &#234;S&#210;&#247;           > 80 EA 53 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000225F7A8D5F0, 16 bytes long.
 Data: <@&#233;S&#210;&#247;           > 40 E9 53 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000225F7A8D640, 16 bytes long.
 Data: <&#248;WP&#210;&#247;           > F8 57 50 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000225F7A8E1D0, 16 bytes long.
 Data: <&#216;WP&#210;&#247;           > D8 57 50 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000225F7A8E2C0, 16 bytes long.
 Data: <P P&#210;&#247;           > 50 04 50 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000225F7A8DFA0, 16 bytes long.
 Data: <0 P&#210;&#247;           > 30 04 50 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000225F7A8D910, 16 bytes long.
 Data: <&#224; P&#210;&#247;           > E0 02 50 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000225F7A8DAF0, 16 bytes long.
 Data: <  P&#210;&#247;           > 10 04 50 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000225F7A8DF00, 16 bytes long.
 Data: <p P&#210;&#247;           > 70 04 50 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000225F7A8E130, 16 bytes long.
 Data: < &#192;N&#210;&#247;           > 18 C0 4E D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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