Task 38663119

Name test_287-GPUGRID_TEST_ATM_40STEP_20261023-9-40-RND9350_0
Workunit 31606345
Created 24 Oct 2026, 21:22:04 UTC
Sent 24 Oct 2026, 21:22:14 UTC
Report deadline 29 Oct 2026, 21:22:14 UTC
Received 24 Oct 2026, 21:53:48 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 636179
Run time 19 min 33 sec
CPU time 18 min 17 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 50,491.95 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 756.56 MB
Peak swap size 10.04 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:34:42 (22512): wrapper (7.9.26016): starting
23:34:42 (22512): 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
23:34:43 (22512): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:34:43 (22512): 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\1\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\1\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
23:53:22 (22512): C:/Windows/system32/cmd.exe exited; CPU time 1097.046875
23:53:22 (22512): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 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: 21469465 bytes.
Dumping objects ->
{3835481} normal block at 0x0000020C603246C0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835470} normal block at 0x0000020C5E655610, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835459} normal block at 0x0000020C5E655450, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835448} normal block at 0x0000020C5E6554C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835437} normal block at 0x0000020C5E655370, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835406} normal block at 0x0000020C6029B5F0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835395} normal block at 0x0000020C5E6ADB20, 141 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) : {3835392} normal block at 0x0000020C5E650C00, 8 bytes long.
 Data: <  ]^    > 00 00 5D 5E 0C 02 00 00 
{3834669} normal block at 0x0000020C5E6ADF30, 141 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 0x0000020C5E651240, 8 bytes long.
 Data: < &#224;c^    > 90 E0 63 5E 0C 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000020C5E646BF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000020C5E647F70, 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 0x0000020C5E656D80, 16 bytes long.
 Data: < qe^            > 18 71 65 5E 0C 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000020C5E656CE0, 16 bytes long.
 Data: <&#240;pe^            > F0 70 65 5E 0C 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000020C5E64EAD0, 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 0x0000020C5E656380, 16 bytes long.
 Data: <&#200;pe^            > C8 70 65 5E 0C 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000020C5E656060, 16 bytes long.
 Data: <&#160;pe^            > A0 70 65 5E 0C 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000020C5E6567E0, 16 bytes long.
 Data: <xpe^            > 78 70 65 5E 0C 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020C5E6569C0, 16 bytes long.
 Data: <Ppe^            > 50 70 65 5E 0C 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020C5E655840, 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 0x0000020C5E656150, 16 bytes long.
 Data: <  d^            > 08 03 64 5E 0C 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020C5E64E8F0, 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 0x0000020C5E655FC0, 16 bytes long.
 Data: <&#224; d^            > E0 02 64 5E 0C 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020C5E6562E0, 16 bytes long.
 Data: <&#184; d^            > B8 02 64 5E 0C 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020C5E655F20, 16 bytes long.
 Data: <  d^            > 90 02 64 5E 0C 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020C5E656920, 16 bytes long.
 Data: <h d^            > 68 02 64 5E 0C 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020C5E656240, 16 bytes long.
 Data: <@ d^            > 40 02 64 5E 0C 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020C5E656C90, 16 bytes long.
 Data: <  d^            > 18 02 64 5E 0C 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020C5E64EA70, 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 0x0000020C5E656330, 16 bytes long.
 Data: <&#240; d^            > F0 01 64 5E 0C 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020C5E6401F0, 320 bytes long.
 Data: <0ce^    p&#234;d^    > 30 63 65 5E 0C 02 00 00 70 EA 64 5E 0C 02 00 00 
{277} normal block at 0x0000020C5E6568D0, 16 bytes long.
 Data: <0pe^            > 30 70 65 5E 0C 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020C5E6565B0, 16 bytes long.
 Data: < pe^            > 08 70 65 5E 0C 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020C5E64F550, 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 0x0000020C5E656290, 16 bytes long.
 Data: <&#224;oe^            > E0 6F 65 5E 0C 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020C5E64F0D0, 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 0x0000020C5E656420, 16 bytes long.
 Data: <(oe^            > 28 6F 65 5E 0C 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020C5E6566A0, 16 bytes long.
 Data: < oe^            > 00 6F 65 5E 0C 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020C5E656A10, 16 bytes long.
 Data: <&#216;ne^            > D8 6E 65 5E 0C 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020C5E656790, 16 bytes long.
 Data: <&#176;ne^            > B0 6E 65 5E 0C 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020C5E655F70, 16 bytes long.
 Data: < ne^            > 88 6E 65 5E 0C 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020C5E656880, 16 bytes long.
 Data: <`ne^            > 60 6E 65 5E 0C 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020C5E656650, 16 bytes long.
 Data: < Ve^            > 80 56 65 5E 0C 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020C5E655680, 40 bytes long.
 Data: <Pfe^    &#240;&#181;)`    > 50 66 65 5E 0C 02 00 00 F0 B5 29 60 0C 02 00 00 
{263} normal block at 0x0000020C5E656B00, 16 bytes long.
 Data: <@ne^            > 40 6E 65 5E 0C 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020C5E656D30, 16 bytes long.
 Data: < ne^            > 18 6E 65 5E 0C 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020C5E64EDD0, 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 0x0000020C5E6563D0, 16 bytes long.
 Data: <&#240;me^            > F0 6D 65 5E 0C 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000020C5E656DF0, 992 bytes long.
 Data: <&#208;ce^    &#208;&#237;d^    > D0 63 65 5E 0C 02 00 00 D0 ED 64 5E 0C 02 00 00 
{95} normal block at 0x0000020C5E64F490, 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 0x0000020C5E6516A0, 16 bytes long.
 Data: < &#237;c^            > 20 ED 63 5E 0C 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000020C5E63ED20, 40 bytes long.
 Data: <&#160; e^     &#244;d^    > A0 16 65 5E 0C 02 00 00 90 F4 64 5E 0C 02 00 00 
{72} normal block at 0x0000020C5E6515B0, 16 bytes long.
 Data: < &#234;pR&#246;           > 80 EA 70 52 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000020C5E650B60, 16 bytes long.
 Data: <@&#233;pR&#246;           > 40 E9 70 52 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000020C5E650E30, 16 bytes long.
 Data: <&#248;WmR&#246;           > F8 57 6D 52 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000020C5E650C50, 16 bytes long.
 Data: <&#216;WmR&#246;           > D8 57 6D 52 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000020C5E651380, 16 bytes long.
 Data: <P mR&#246;           > 50 04 6D 52 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000020C5E6509D0, 16 bytes long.
 Data: <0 mR&#246;           > 30 04 6D 52 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020C5E650CF0, 16 bytes long.
 Data: <&#224; mR&#246;           > E0 02 6D 52 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020C5E650DE0, 16 bytes long.
 Data: <  mR&#246;           > 10 04 6D 52 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020C5E650D90, 16 bytes long.
 Data: <p mR&#246;           > 70 04 6D 52 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020C5E651060, 16 bytes long.
 Data: < &#192;kR&#246;           > 18 C0 6B 52 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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