Task 38671910

Name test_70-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND0427_0
Workunit 31614091
Created 25 Oct 2026, 21:55:43 UTC
Sent 25 Oct 2026, 21:55:47 UTC
Report deadline 30 Oct 2026, 21:55:47 UTC
Received 25 Oct 2026, 22:17:40 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 619058
Run time 20 min 18 sec
CPU time 18 min 56 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 82,578.99 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 741.90 MB
Peak swap size 13.15 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:58:00 (49268): wrapper (7.9.26016): starting
15:58:00 (49268): 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
15:58:01 (49268): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:58:01 (49268): 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\6\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\6\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
16:17:15 (49268): C:/Windows/system32/cmd.exe exited; CPU time 1136.796875
16:17:15 (49268): 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: 29298809 bytes.
Dumping objects ->
{3835217} normal block at 0x000001DD5E015920, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835206} normal block at 0x000001DD5E015610, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835195} normal block at 0x000001DD5E015530, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835184} normal block at 0x000001DD5E0157D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835173} normal block at 0x000001DD5E0153E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835142} normal block at 0x000001DD5FE2B520, 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) : {3835129} normal block at 0x000001DD5E00E490, 8 bytes long.
 Data: <  S^&#221;   > 00 00 53 5E DD 01 00 00 
{3833963} normal block at 0x000001DD5E00E2B0, 8 bytes long.
 Data: <p&#232; ^&#221;   > 70 E8 0E 5E DD 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001DD5E011670, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001DD5E006E50, 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 0x000001DD5E016E60, 16 bytes long.
 Data: <&#184;u ^&#221;           > B8 75 01 5E DD 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001DD5E0165A0, 16 bytes long.
 Data: < u ^&#221;           > 90 75 01 5E DD 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001DD5E0104A0, 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 0x000001DD5E0169B0, 16 bytes long.
 Data: <hu ^&#221;           > 68 75 01 5E DD 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001DD5E016780, 16 bytes long.
 Data: <@u ^&#221;           > 40 75 01 5E DD 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001DD5E016E10, 16 bytes long.
 Data: < u ^&#221;           > 18 75 01 5E DD 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001DD5E016F00, 16 bytes long.
 Data: <&#240;t ^&#221;           > F0 74 01 5E DD 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001DD5E0156F0, 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 0x000001DD5E016A00, 16 bytes long.
 Data: <&#232;&#187;&#255;]&#221;           > E8 BB FF 5D DD 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001DD5E010F20, 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 0x000001DD5E016690, 16 bytes long.
 Data: <&#192;&#187;&#255;]&#221;           > C0 BB FF 5D DD 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001DD5E016BE0, 16 bytes long.
 Data: < &#187;&#255;]&#221;           > 98 BB FF 5D DD 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001DD5E016370, 16 bytes long.
 Data: <p&#187;&#255;]&#221;           > 70 BB FF 5D DD 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001DD5E016960, 16 bytes long.
 Data: <H&#187;&#255;]&#221;           > 48 BB FF 5D DD 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001DD5E016320, 16 bytes long.
 Data: < &#187;&#255;]&#221;           > 20 BB FF 5D DD 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001DD5E016550, 16 bytes long.
 Data: <&#248;&#186;&#255;]&#221;           > F8 BA FF 5D DD 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001DD5E0108C0, 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 0x000001DD5E016D20, 16 bytes long.
 Data: <&#208;&#186;&#255;]&#221;           > D0 BA FF 5D DD 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001DD5DFFBAD0, 320 bytes long.
 Data: < m ^&#221;   &#192;  ^&#221;   > 20 6D 01 5E DD 01 00 00 C0 08 01 5E DD 01 00 00 
{277} normal block at 0x000001DD5E016820, 16 bytes long.
 Data: <&#208;t ^&#221;           > D0 74 01 5E DD 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001DD5E016F50, 16 bytes long.
 Data: <&#168;t ^&#221;           > A8 74 01 5E DD 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001DD5E010800, 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 0x000001DD5E017090, 16 bytes long.
 Data: < t ^&#221;           > 80 74 01 5E DD 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001DD5E010500, 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 0x000001DD5E0167D0, 16 bytes long.
 Data: <&#200;s ^&#221;           > C8 73 01 5E DD 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001DD5E016DC0, 16 bytes long.
 Data: <&#160;s ^&#221;           > A0 73 01 5E DD 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001DD5E017220, 16 bytes long.
 Data: <xs ^&#221;           > 78 73 01 5E DD 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001DD5E016910, 16 bytes long.
 Data: <Ps ^&#221;           > 50 73 01 5E DD 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001DD5E016FA0, 16 bytes long.
 Data: <(s ^&#221;           > 28 73 01 5E DD 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001DD5E017040, 16 bytes long.
 Data: < s ^&#221;           > 00 73 01 5E DD 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001DD5E017130, 16 bytes long.
 Data: <pZ ^&#221;           > 70 5A 01 5E DD 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001DD5E015A70, 40 bytes long.
 Data: <0q ^&#221;    &#181;&#226;_&#221;   > 30 71 01 5E DD 01 00 00 20 B5 E2 5F DD 01 00 00 
{263} normal block at 0x000001DD5E016500, 16 bytes long.
 Data: <&#224;r ^&#221;           > E0 72 01 5E DD 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001DD5E0164B0, 16 bytes long.
 Data: <&#184;r ^&#221;           > B8 72 01 5E DD 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001DD5E010B60, 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 0x000001DD5E0168C0, 16 bytes long.
 Data: < r ^&#221;           > 90 72 01 5E DD 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001DD5E017290, 992 bytes long.
 Data: <&#192;h ^&#221;   `  ^&#221;   > C0 68 01 5E DD 01 00 00 60 0B 01 5E DD 01 00 00 
{95} normal block at 0x000001DD5E010E00, 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 0x000001DD5E00E350, 16 bytes long.
 Data: <@&#250; ^&#221;           > 40 FA 00 5E DD 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001DD5E00FA40, 40 bytes long.
 Data: <P&#227; ^&#221;      ^&#221;   > 50 E3 00 5E DD 01 00 00 00 0E 01 5E DD 01 00 00 
{72} normal block at 0x000001DD5E00E620, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 98 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001DD5E00DC70, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 98 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001DD5E00E0D0, 16 bytes long.
 Data: <&#248;W&#149; &#247;           > F8 57 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001DD5E00E940, 16 bytes long.
 Data: <&#216;W&#149; &#247;           > D8 57 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001DD5E00E670, 16 bytes long.
 Data: <P &#149; &#247;           > 50 04 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001DD5E00E760, 16 bytes long.
 Data: <0 &#149; &#247;           > 30 04 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001DD5E00E030, 16 bytes long.
 Data: <&#224; &#149; &#247;           > E0 02 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001DD5E00E5D0, 16 bytes long.
 Data: <  &#149; &#247;           > 10 04 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001DD5E00E1C0, 16 bytes long.
 Data: <p &#149; &#247;           > 70 04 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001DD5E00E300, 16 bytes long.
 Data: < &#192;&#147; &#247;           > 18 C0 93 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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