Task 38668266

Name test_81-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND7543_0
Workunit 31610811
Created 25 Oct 2026, 11:15:40 UTC
Sent 25 Oct 2026, 11:15:45 UTC
Report deadline 30 Oct 2026, 11:15:45 UTC
Received 25 Oct 2026, 11:39:07 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 627928
Run time 19 min 36 sec
CPU time 19 min 36 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 739.98 MB
Peak swap size 13.15 GB
Peak disk usage 3.91 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
12:18:56 (27444): wrapper (7.9.26016): starting
12:18:56 (27444): 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
12:18:57 (27444): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:18:57 (27444): 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\32\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\32\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
12:38:37 (27444): C:/Windows/system32/cmd.exe exited; CPU time 1176.281250
12:38:37 (27444): 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: 21388441 bytes.
Dumping objects ->
{3835219} normal block at 0x000001780AAE49A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835208} normal block at 0x000001780AAB5980, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835197} normal block at 0x000001780AAB5910, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835186} normal block at 0x000001780AAB58A0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835175} normal block at 0x000001780AAB56E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835144} normal block at 0x000001780C7D8DC0, 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) : {3835131} normal block at 0x000001780AAAFF30, 8 bytes long.
 Data: <  &#247; x   > 00 00 F7 0A 78 01 00 00 
{3833967} normal block at 0x000001780AAB0570, 8 bytes long.
 Data: <P5&#174; x   > 50 35 AE 0A 78 01 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001780AAB2390, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001780AAA7360, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x000001780AAB6BC0, 16 bytes long.
 Data: <&#200;r&#171; x           > C8 72 AB 0A 78 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001780AAB65D0, 16 bytes long.
 Data: <&#160;r&#171; x           > A0 72 AB 0A 78 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001780AAAE610, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x000001780AAB6170, 16 bytes long.
 Data: <xr&#171; x           > 78 72 AB 0A 78 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001780AAB66C0, 16 bytes long.
 Data: <Pr&#171; x           > 50 72 AB 0A 78 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001780AAB6B20, 16 bytes long.
 Data: <(r&#171; x           > 28 72 AB 0A 78 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001780AAB6EE0, 16 bytes long.
 Data: < r&#171; x           > 00 72 AB 0A 78 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001780AAB5A60, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x000001780AAB6530, 16 bytes long.
 Data: <&#248;&#249;&#169; x           > F8 F9 A9 0A 78 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001780AAAE2B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x000001780AAB6710, 16 bytes long.
 Data: <&#208;&#249;&#169; x           > D0 F9 A9 0A 78 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001780AAB63F0, 16 bytes long.
 Data: <&#168;&#249;&#169; x           > A8 F9 A9 0A 78 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001780AAB6A30, 16 bytes long.
 Data: < &#249;&#169; x           > 80 F9 A9 0A 78 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001780AAB6670, 16 bytes long.
 Data: <X&#249;&#169; x           > 58 F9 A9 0A 78 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001780AAB6120, 16 bytes long.
 Data: <0&#249;&#169; x           > 30 F9 A9 0A 78 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001780AAB60D0, 16 bytes long.
 Data: < &#249;&#169; x           > 08 F9 A9 0A 78 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001780AAADD70, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x000001780AAB6A80, 16 bytes long.
 Data: <&#224;&#248;&#169; x           > E0 F8 A9 0A 78 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001780AA9F8E0, 320 bytes long.
 Data: < j&#171; x   p&#221;&#170; x   > 80 6A AB 0A 78 01 00 00 70 DD AA 0A 78 01 00 00 
{279} normal block at 0x000001780AAB6080, 16 bytes long.
 Data: <&#224;q&#171; x           > E0 71 AB 0A 78 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001780AAB64E0, 16 bytes long.
 Data: <&#184;q&#171; x           > B8 71 AB 0A 78 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001780AAAE430, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x000001780AAB67B0, 16 bytes long.
 Data: < q&#171; x           > 90 71 AB 0A 78 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001780AAADA70, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x000001780AAB6030, 16 bytes long.
 Data: <&#216;p&#171; x           > D8 70 AB 0A 78 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001780AAB6DA0, 16 bytes long.
 Data: <&#176;p&#171; x           > B0 70 AB 0A 78 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001780AAB68F0, 16 bytes long.
 Data: < p&#171; x           > 88 70 AB 0A 78 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001780AAB6300, 16 bytes long.
 Data: <`p&#171; x           > 60 70 AB 0A 78 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001780AAB6AD0, 16 bytes long.
 Data: <8p&#171; x           > 38 70 AB 0A 78 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001780AAB5FE0, 16 bytes long.
 Data: < p&#171; x           > 10 70 AB 0A 78 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001780AAB6940, 16 bytes long.
 Data: <&#240;Y&#171; x           > F0 59 AB 0A 78 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001780AAB59F0, 40 bytes long.
 Data: <@i&#171; x   &#192; } x   > 40 69 AB 0A 78 01 00 00 C0 8D 7D 0C 78 01 00 00 
{265} normal block at 0x000001780AAB6D50, 16 bytes long.
 Data: <&#240;o&#171; x           > F0 6F AB 0A 78 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001780AAB6350, 16 bytes long.
 Data: <&#200;o&#171; x           > C8 6F AB 0A 78 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001780AAAE250, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x000001780AAB6580, 16 bytes long.
 Data: <&#160;o&#171; x           > A0 6F AB 0A 78 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001780AAB6FA0, 992 bytes long.
 Data: < e&#171; x   P&#226;&#170; x   > 80 65 AB 0A 78 01 00 00 50 E2 AA 0A 78 01 00 00 
{97} normal block at 0x000001780AAADCB0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x000001780AAB07F0, 16 bytes long.
 Data: < &#231;&#169; x           > 00 E7 A9 0A 78 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000001780AA9E700, 40 bytes long.
 Data: <&#240; &#171; x   &#176;&#220;&#170; x   > F0 07 AB 0A 78 01 00 00 B0 DC AA 0A 78 01 00 00 
{74} normal block at 0x000001780AAAF990, 16 bytes long.
 Data: < &#234;\&#209;&#246;           > 80 EA 5C D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001780AAAFAD0, 16 bytes long.
 Data: <@&#233;\&#209;&#246;           > 40 E9 5C D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001780AAB01B0, 16 bytes long.
 Data: <&#248;WY&#209;&#246;           > F8 57 59 D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001780AAAFDF0, 16 bytes long.
 Data: <&#216;WY&#209;&#246;           > D8 57 59 D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001780AAAFA80, 16 bytes long.
 Data: <P Y&#209;&#246;           > 50 04 59 D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001780AAB07A0, 16 bytes long.
 Data: <0 Y&#209;&#246;           > 30 04 59 D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001780AAAFDA0, 16 bytes long.
 Data: <&#224; Y&#209;&#246;           > E0 02 59 D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001780AAAFC60, 16 bytes long.
 Data: <  Y&#209;&#246;           > 10 04 59 D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001780AAB0020, 16 bytes long.
 Data: <p Y&#209;&#246;           > 70 04 59 D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001780AAB0700, 16 bytes long.
 Data: < &#192;W&#209;&#246;           > 18 C0 57 D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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