Task 38679746

Name test_669-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND6278_0
Workunit 31621509
Created 26 Oct 2026, 21:36:58 UTC
Sent 26 Oct 2026, 21:37:02 UTC
Report deadline 31 Oct 2026, 21:37:02 UTC
Received 26 Oct 2026, 21:56:15 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654879
Run time 17 min 38 sec
CPU time 16 min 50 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 84,053.55 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 741.99 MB
Peak swap size 13.14 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:38:42 (27316): wrapper (7.9.26016): starting
22:38:42 (27316): 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
22:38:43 (27316): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:38:43 (27316): 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\3\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\3\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
22:55:39 (27316): C:/Windows/system32/cmd.exe exited; CPU time 1010.765625
22:55:39 (27316): 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: 16837973 bytes.
Dumping objects ->
{3835018} normal block at 0x000002B04FB9DDA0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835007} normal block at 0x000002B04FB9E820, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3834996} normal block at 0x000002B04FB9E190, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3834985} normal block at 0x000002B04FB9DD30, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3834974} normal block at 0x000002B04DD65F90, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3834943} normal block at 0x000002B04FBE5630, 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) : {3834930} normal block at 0x000002B04DD5D280, 8 bytes long.
 Data: <  DN&#176;   > 00 00 44 4E B0 02 00 00 
{3833961} normal block at 0x000002B04DD5E130, 8 bytes long.
 Data: <&#160; &#183;O&#176;   > A0 05 B7 4F B0 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000002B04DD616D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002B04DD56910, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000002B04DD66B40, 16 bytes long.
 Data: <&#232;w&#214;M&#176;           > E8 77 D6 4D B0 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002B04DD66640, 16 bytes long.
 Data: <&#192;w&#214;M&#176;           > C0 77 D6 4D B0 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002B04DD5F5C0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000002B04DD67090, 16 bytes long.
 Data: < w&#214;M&#176;           > 98 77 D6 4D B0 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002B04DD66FF0, 16 bytes long.
 Data: <pw&#214;M&#176;           > 70 77 D6 4D B0 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002B04DD67040, 16 bytes long.
 Data: <Hw&#214;M&#176;           > 48 77 D6 4D B0 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002B04DD66690, 16 bytes long.
 Data: < w&#214;M&#176;           > 20 77 D6 4D B0 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002B04DD65AC0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000002B04DD66AF0, 16 bytes long.
 Data: <&#216; &#213;M&#176;           > D8 90 D5 4D B0 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002B04DD5F560, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000002B04DD66A50, 16 bytes long.
 Data: <&#176; &#213;M&#176;           > B0 90 D5 4D B0 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002B04DD668C0, 16 bytes long.
 Data: <  &#213;M&#176;           > 88 90 D5 4D B0 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002B04DD66870, 16 bytes long.
 Data: <` &#213;M&#176;           > 60 90 D5 4D B0 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002B04DD66820, 16 bytes long.
 Data: <8 &#213;M&#176;           > 38 90 D5 4D B0 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002B04DD66DC0, 16 bytes long.
 Data: <  &#213;M&#176;           > 10 90 D5 4D B0 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002B04DD67310, 16 bytes long.
 Data: <&#232;&#143;&#213;M&#176;           > E8 8F D5 4D B0 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002B04DD5F020, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000002B04DD67450, 16 bytes long.
 Data: <&#192;&#143;&#213;M&#176;           > C0 8F D5 4D B0 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002B04DD58FC0, 320 bytes long.
 Data: <Pt&#214;M&#176;    &#240;&#213;M&#176;   > 50 74 D6 4D B0 02 00 00 20 F0 D5 4D B0 02 00 00 
{276} normal block at 0x000002B04DD66BE0, 16 bytes long.
 Data: < w&#214;M&#176;           > 00 77 D6 4D B0 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002B04DD66AA0, 16 bytes long.
 Data: <&#216;v&#214;M&#176;           > D8 76 D6 4D B0 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002B04DD5F860, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000002B04DD66E60, 16 bytes long.
 Data: <&#176;v&#214;M&#176;           > B0 76 D6 4D B0 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002B04DD5F7A0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000002B04DD666E0, 16 bytes long.
 Data: <&#248;u&#214;M&#176;           > F8 75 D6 4D B0 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002B04DD66A00, 16 bytes long.
 Data: <&#208;u&#214;M&#176;           > D0 75 D6 4D B0 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002B04DD672C0, 16 bytes long.
 Data: <&#168;u&#214;M&#176;           > A8 75 D6 4D B0 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002B04DD669B0, 16 bytes long.
 Data: < u&#214;M&#176;           > 80 75 D6 4D B0 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002B04DD66960, 16 bytes long.
 Data: <Xu&#214;M&#176;           > 58 75 D6 4D B0 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002B04DD67270, 16 bytes long.
 Data: <0u&#214;M&#176;           > 30 75 D6 4D B0 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002B04DD67400, 16 bytes long.
 Data: <`]&#214;M&#176;           > 60 5D D6 4D B0 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002B04DD65D60, 40 bytes long.
 Data: < t&#214;M&#176;   0V&#190;O&#176;   > 00 74 D6 4D B0 02 00 00 30 56 BE 4F B0 02 00 00 
{262} normal block at 0x000002B04DD671D0, 16 bytes long.
 Data: < u&#214;M&#176;           > 10 75 D6 4D B0 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002B04DD66E10, 16 bytes long.
 Data: <&#232;t&#214;M&#176;           > E8 74 D6 4D B0 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002B04DD5EC00, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000002B04DD66CD0, 16 bytes long.
 Data: <&#192;t&#214;M&#176;           > C0 74 D6 4D B0 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002B04DD674C0, 992 bytes long.
 Data: <&#208;l&#214;M&#176;    &#236;&#213;M&#176;   > D0 6C D6 4D B0 02 00 00 00 EC D5 4D B0 02 00 00 
{94} normal block at 0x000002B04DD5F740, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000002B04DD5D5A0, 16 bytes long.
 Data: <&#192;a&#214;M&#176;           > C0 61 D6 4D B0 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000002B04DD661C0, 40 bytes long.
 Data: <&#160;&#213;&#213;M&#176;   @&#247;&#213;M&#176;   > A0 D5 D5 4D B0 02 00 00 40 F7 D5 4D B0 02 00 00 
{71} normal block at 0x000002B04DD5DE10, 16 bytes long.
 Data: < &#234;&#159;7&#247;           > 80 EA 9F 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002B04DD5D500, 16 bytes long.
 Data: <@&#233;&#159;7&#247;           > 40 E9 9F 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002B04DD5D230, 16 bytes long.
 Data: <&#248;W&#156;7&#247;           > F8 57 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002B04DD5D4B0, 16 bytes long.
 Data: <&#216;W&#156;7&#247;           > D8 57 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002B04DD5D410, 16 bytes long.
 Data: <P &#156;7&#247;           > 50 04 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002B04DD5DC80, 16 bytes long.
 Data: <0 &#156;7&#247;           > 30 04 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002B04DD5E0E0, 16 bytes long.
 Data: <&#224; &#156;7&#247;           > E0 02 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002B04DD5D870, 16 bytes long.
 Data: <  &#156;7&#247;           > 10 04 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002B04DD5DCD0, 16 bytes long.
 Data: <p &#156;7&#247;           > 70 04 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002B04DD5D6E0, 16 bytes long.
 Data: < &#192;&#154;7&#247;           > 18 C0 9A 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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