Task 38670980

Name test_632-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND3671_0
Workunit 31613203
Created 25 Oct 2026, 19:10:09 UTC
Sent 25 Oct 2026, 19:10:24 UTC
Report deadline 30 Oct 2026, 19:10:24 UTC
Received 25 Oct 2026, 19:35:04 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 619058
Run time 22 min 44 sec
CPU time 21 min 20 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 744.38 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>
13:13:04 (11548): wrapper (7.9.26016): starting
13:13:04 (11548): 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
13:13:05 (11548): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:13:05 (11548): 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
13:34:44 (11548): C:/Windows/system32/cmd.exe exited; CPU time 1280.468750
13:34:44 (11548): 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: 33050877 bytes.
Dumping objects ->
{3835217} normal block at 0x000001C819EA56C0, 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 0x000001C819EA5A40, 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 0x000001C819EA5AB0, 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 0x000001C819EA59D0, 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 0x000001C819EA5960, 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 0x000001C81BB5C740, 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 0x000001C819E9E390, 8 bytes long.
 Data: <  A &#200;   > 00 00 41 1A C8 01 00 00 
{3833963} normal block at 0x000001C819E9DBC0, 8 bytes long.
 Data: <&#224;&#234;&#166; &#200;   > E0 EA A6 1B C8 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001C819EA2590, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001C819E91130, 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 0x000001C819EA6870, 16 bytes long.
 Data: < s&#234; &#200;           > 88 73 EA 19 C8 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001C819EA6D20, 16 bytes long.
 Data: <`s&#234; &#200;           > 60 73 EA 19 C8 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001C819EA01E0, 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 0x000001C819EA61E0, 16 bytes long.
 Data: <8s&#234; &#200;           > 38 73 EA 19 C8 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001C819EA6CD0, 16 bytes long.
 Data: < s&#234; &#200;           > 10 73 EA 19 C8 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001C819EA6460, 16 bytes long.
 Data: <&#232;r&#234; &#200;           > E8 72 EA 19 C8 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001C819EA63C0, 16 bytes long.
 Data: <&#192;r&#234; &#200;           > C0 72 EA 19 C8 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001C819EA5730, 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 0x000001C819EA6230, 16 bytes long.
 Data: <&#216;&#248;&#233; &#200;           > D8 F8 E9 19 C8 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001C819E9FA00, 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 0x000001C819EA6140, 16 bytes long.
 Data: <&#176;&#248;&#233; &#200;           > B0 F8 E9 19 C8 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001C819EA62D0, 16 bytes long.
 Data: < &#248;&#233; &#200;           > 88 F8 E9 19 C8 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001C819EA6780, 16 bytes long.
 Data: <`&#248;&#233; &#200;           > 60 F8 E9 19 C8 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001C819EA66E0, 16 bytes long.
 Data: <8&#248;&#233; &#200;           > 38 F8 E9 19 C8 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001C819EA6C30, 16 bytes long.
 Data: < &#248;&#233; &#200;           > 10 F8 E9 19 C8 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001C819EA6370, 16 bytes long.
 Data: <&#232;&#247;&#233; &#200;           > E8 F7 E9 19 C8 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001C819EA06C0, 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 0x000001C819EA6730, 16 bytes long.
 Data: <&#192;&#247;&#233; &#200;           > C0 F7 E9 19 C8 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001C819E9F7C0, 320 bytes long.
 Data: <0g&#234; &#200;   &#192; &#234; &#200;   > 30 67 EA 19 C8 01 00 00 C0 06 EA 19 C8 01 00 00 
{277} normal block at 0x000001C819EA6F00, 16 bytes long.
 Data: <&#160;r&#234; &#200;           > A0 72 EA 19 C8 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001C819EA6EB0, 16 bytes long.
 Data: <xr&#234; &#200;           > 78 72 EA 19 C8 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001C819EA0000, 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 0x000001C819EA6410, 16 bytes long.
 Data: <Pr&#234; &#200;           > 50 72 EA 19 C8 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001C819EA05A0, 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 0x000001C819EA60A0, 16 bytes long.
 Data: < q&#234; &#200;           > 98 71 EA 19 C8 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001C819EA6820, 16 bytes long.
 Data: <pq&#234; &#200;           > 70 71 EA 19 C8 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001C819EA6E60, 16 bytes long.
 Data: <Hq&#234; &#200;           > 48 71 EA 19 C8 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001C819EA6320, 16 bytes long.
 Data: < q&#234; &#200;           > 20 71 EA 19 C8 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001C819EA60F0, 16 bytes long.
 Data: <&#248;p&#234; &#200;           > F8 70 EA 19 C8 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001C819EA6A00, 16 bytes long.
 Data: <&#208;p&#234; &#200;           > D0 70 EA 19 C8 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001C819EA6C80, 16 bytes long.
 Data: <&#240;X&#234; &#200;           > F0 58 EA 19 C8 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001C819EA58F0, 40 bytes long.
 Data: < l&#234; &#200;   @&#199;&#181; &#200;   > 80 6C EA 19 C8 01 00 00 40 C7 B5 1B C8 01 00 00 
{263} normal block at 0x000001C819EA6190, 16 bytes long.
 Data: <&#176;p&#234; &#200;           > B0 70 EA 19 C8 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001C819EA6910, 16 bytes long.
 Data: < p&#234; &#200;           > 88 70 EA 19 C8 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001C819EA0540, 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 0x000001C819EA67D0, 16 bytes long.
 Data: <`p&#234; &#200;           > 60 70 EA 19 C8 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001C819EA7060, 992 bytes long.
 Data: <&#208;g&#234; &#200;   @ &#234; &#200;   > D0 67 EA 19 C8 01 00 00 40 05 EA 19 C8 01 00 00 
{95} normal block at 0x000001C819E9FE20, 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 0x000001C819E9E430, 16 bytes long.
 Data: <@&#223;&#232; &#200;           > 40 DF E8 19 C8 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001C819E8DF40, 40 bytes long.
 Data: <0&#228;&#233; &#200;    &#254;&#233; &#200;   > 30 E4 E9 19 C8 01 00 00 20 FE E9 19 C8 01 00 00 
{72} normal block at 0x000001C819E9E570, 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 0x000001C819E9E340, 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 0x000001C819E9E520, 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 0x000001C819E9E3E0, 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 0x000001C819E9D990, 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 0x000001C819E9DEE0, 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 0x000001C819E9DC60, 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 0x000001C819E9E1B0, 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 0x000001C819E9E0C0, 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 0x000001C819E9E2F0, 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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