Task 38662787

Name test_557-GPUGRID_TEST_ATM_40STEP_20261023-4-40-RND5717_0
Workunit 31606025
Created 24 Oct 2026, 20:41:27 UTC
Sent 24 Oct 2026, 20:41:43 UTC
Report deadline 29 Oct 2026, 20:41:43 UTC
Received 24 Oct 2026, 21:52:19 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 628466
Run time 57 min 35 sec
CPU time 50 min 54 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 49,324.59 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 729.21 MB
Peak swap size 6.99 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:47:34 (9472): wrapper (7.9.26016): starting
13:47:34 (9472): 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
13:47:39 (9472): Library/usr/bin/tar.exe exited; CPU time 0.015625
13:47:39 (9472): 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\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:\ProgramData\BOINC\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
14:51:07 (9472): C:/Windows/system32/cmd.exe exited; CPU time 3054.359375
14:51:07 (9472): 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: 48297299 bytes.
Dumping objects ->
{3835561} normal block at 0x0000021F31AAD880, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835550} normal block at 0x0000021F2FE84C70, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835539} normal block at 0x0000021F2FE84B90, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835528} normal block at 0x0000021F2FE84810, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835517} normal block at 0x0000021F2FE84880, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835486} normal block at 0x0000021F31AF8180, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835475} normal block at 0x0000021F31B0ECB0, 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) : {3835472} normal block at 0x0000021F2FE7F2A0, 8 bytes long.
 Data: <  &#193;1    > 00 00 C1 31 1F 02 00 00 
{3834691} normal block at 0x0000021F31B0E730, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x0000021F2FE7F390, 8 bytes long.
 Data: < I&#181;1    > 90 49 B5 31 1F 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000021F2FE80EB0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000021F2FE76650, 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 0x0000021F2FE85AD0, 16 bytes long.
 Data: <He&#232;/            > 48 65 E8 2F 1F 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000021F2FE85D50, 16 bytes long.
 Data: < e&#232;/            > 20 65 E8 2F 1F 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000021F2FE802C0, 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 0x0000021F2FE861B0, 16 bytes long.
 Data: <&#248;d&#232;/            > F8 64 E8 2F 1F 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000021F2FE855D0, 16 bytes long.
 Data: <&#208;d&#232;/            > D0 64 E8 2F 1F 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000021F2FE85620, 16 bytes long.
 Data: <&#168;d&#232;/            > A8 64 E8 2F 1F 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000021F2FE85490, 16 bytes long.
 Data: < d&#232;/            > 80 64 E8 2F 1F 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000021F2FE84730, 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 0x0000021F2FE85F30, 16 bytes long.
 Data: <(&#230;&#231;/            > 28 E6 E7 2F 1F 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000021F2FE80440, 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 0x0000021F2FE85580, 16 bytes long.
 Data: < &#230;&#231;/            > 00 E6 E7 2F 1F 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021F2FE853F0, 16 bytes long.
 Data: <&#216;&#229;&#231;/            > D8 E5 E7 2F 1F 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021F2FE853A0, 16 bytes long.
 Data: <&#176;&#229;&#231;/            > B0 E5 E7 2F 1F 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000021F2FE85DA0, 16 bytes long.
 Data: < &#229;&#231;/            > 88 E5 E7 2F 1F 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021F2FE85D00, 16 bytes long.
 Data: <`&#229;&#231;/            > 60 E5 E7 2F 1F 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000021F2FE86070, 16 bytes long.
 Data: <8&#229;&#231;/            > 38 E5 E7 2F 1F 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021F2FE7FFC0, 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 0x0000021F2FE85440, 16 bytes long.
 Data: < &#229;&#231;/            > 10 E5 E7 2F 1F 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000021F2FE7E510, 320 bytes long.
 Data: <@T&#232;/    &#192;&#255;&#231;/    > 40 54 E8 2F 1F 02 00 00 C0 FF E7 2F 1F 02 00 00 
{277} normal block at 0x0000021F2FE85FD0, 16 bytes long.
 Data: <`d&#232;/            > 60 64 E8 2F 1F 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000021F2FE86020, 16 bytes long.
 Data: <8d&#232;/            > 38 64 E8 2F 1F 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000021F2FE7FAE0, 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 0x0000021F2FE85350, 16 bytes long.
 Data: < d&#232;/            > 10 64 E8 2F 1F 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000021F2FE7F900, 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 0x0000021F2FE85850, 16 bytes long.
 Data: <Xc&#232;/            > 58 63 E8 2F 1F 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021F2FE85800, 16 bytes long.
 Data: <0c&#232;/            > 30 63 E8 2F 1F 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000021F2FE852B0, 16 bytes long.
 Data: < c&#232;/            > 08 63 E8 2F 1F 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021F2FE85E90, 16 bytes long.
 Data: <&#224;b&#232;/            > E0 62 E8 2F 1F 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021F2FE85CB0, 16 bytes long.
 Data: <&#184;b&#232;/            > B8 62 E8 2F 1F 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021F2FE85A30, 16 bytes long.
 Data: < b&#232;/            > 90 62 E8 2F 1F 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000021F2FE86160, 16 bytes long.
 Data: <&#208;I&#232;/            > D0 49 E8 2F 1F 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021F2FE849D0, 40 bytes long.
 Data: <`a&#232;/      &#175;1    > 60 61 E8 2F 1F 02 00 00 80 81 AF 31 1F 02 00 00 
{263} normal block at 0x0000021F2FE85300, 16 bytes long.
 Data: <pb&#232;/            > 70 62 E8 2F 1F 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000021F2FE85EE0, 16 bytes long.
 Data: <Hb&#232;/            > 48 62 E8 2F 1F 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000021F2FE80560, 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 0x0000021F2FE85670, 16 bytes long.
 Data: < b&#232;/            > 20 62 E8 2F 1F 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000021F2FE86220, 992 bytes long.
 Data: <pV&#232;/    ` &#232;/    > 70 56 E8 2F 1F 02 00 00 60 05 E8 2F 1F 02 00 00 
{95} normal block at 0x0000021F2FE7FF60, 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 0x0000021F2FE7EC10, 16 bytes long.
 Data: < &#200;&#230;/            > 00 C8 E6 2F 1F 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000021F2FE6C800, 40 bytes long.
 Data: < &#236;&#231;/    `&#255;&#231;/    > 10 EC E7 2F 1F 02 00 00 60 FF E7 2F 1F 02 00 00 
{72} normal block at 0x0000021F2FE7E800, 16 bytes long.
 Data: < &#234;^~&#247;           > 80 EA 5E 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000021F2FE7E760, 16 bytes long.
 Data: <@&#233;^~&#247;           > 40 E9 5E 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000021F2FE7EC60, 16 bytes long.
 Data: <&#248;W[~&#247;           > F8 57 5B 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000021F2FE7F5C0, 16 bytes long.
 Data: <&#216;W[~&#247;           > D8 57 5B 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000021F2FE7EA30, 16 bytes long.
 Data: <P [~&#247;           > 50 04 5B 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000021F2FE7E8A0, 16 bytes long.
 Data: <0 [~&#247;           > 30 04 5B 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000021F2FE7E9E0, 16 bytes long.
 Data: <&#224; [~&#247;           > E0 02 5B 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000021F2FE7F0C0, 16 bytes long.
 Data: <  [~&#247;           > 10 04 5B 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000021F2FE7EA80, 16 bytes long.
 Data: <p [~&#247;           > 70 04 5B 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000021F2FE7EEE0, 16 bytes long.
 Data: < &#192;Y~&#247;           > 18 C0 59 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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