Task 38684629

Name test_122-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND9572_0
Workunit 31626137
Created 27 Oct 2026, 17:15:00 UTC
Sent 27 Oct 2026, 17:15:02 UTC
Report deadline 1 Nov 2026, 17:15:02 UTC
Received 27 Oct 2026, 20:48:53 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 583488
Run time 1 hours 46 min 56 sec
CPU time 1 hours 32 min 47 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 22,490.66 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 719.36 MB
Peak swap size 12.95 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
15:03:04 (42024): wrapper (7.9.26016): starting
15:03:04 (42024): 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
15:03:10 (42024): Library/usr/bin/tar.exe exited; CPU time 0.046875
15:03:10 (42024): 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\BOINC2\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\BOINC2\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
16:48:19 (42024): C:/Windows/system32/cmd.exe exited; CPU time 5567.609375
16:48:19 (42024): 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: 128438431 bytes.
Dumping objects ->
{3835347} normal block at 0x0000025081FF89A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835336} normal block at 0x0000025081FF8930, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835325} normal block at 0x0000025081FF8D90, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835314} normal block at 0x000002508029BF40, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835303} normal block at 0x000002508029BED0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835272} normal block at 0x0000025081F9BE00, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835261} normal block at 0x0000025081FFD9F0, 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) : {3835258} normal block at 0x0000025080297340, 8 bytes long.
 Data: <  $ P   > 00 00 24 80 50 02 00 00 
{3834590} normal block at 0x0000025081FFD3C0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833949} normal block at 0x00000250802975C0, 8 bytes long.
 Data: <   &#130;P   > 90 88 03 82 50 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x00000250802A0700, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000025080285DA0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x00000250802A2000, 16 bytes long.
 Data: <&#184;=* P           > B8 3D 2A 80 50 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000250802A1D80, 16 bytes long.
 Data: < =* P           > 90 3D 2A 80 50 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002508029D6D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x00000250802A1D30, 16 bytes long.
 Data: <h=* P           > 68 3D 2A 80 50 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000250802A1970, 16 bytes long.
 Data: <@=* P           > 40 3D 2A 80 50 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000250802A1880, 16 bytes long.
 Data: < =* P           > 18 3D 2A 80 50 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000250802A1F10, 16 bytes long.
 Data: <&#240;<* P           > F0 3C 2A 80 50 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002508029B990, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x00000250802A1790, 16 bytes long.
 Data: <8]( P           > 38 5D 28 80 50 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002508029CE90, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x00000250802A16A0, 16 bytes long.
 Data: < ]( P           > 10 5D 28 80 50 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000250802A15B0, 16 bytes long.
 Data: <&#232;\( P           > E8 5C 28 80 50 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000250802A2460, 16 bytes long.
 Data: <&#192;\( P           > C0 5C 28 80 50 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000250802A1F60, 16 bytes long.
 Data: < \( P           > 98 5C 28 80 50 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000250802A1CE0, 16 bytes long.
 Data: <p\( P           > 70 5C 28 80 50 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000250802A2050, 16 bytes long.
 Data: <H\( P           > 48 5C 28 80 50 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002508029D4F0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x00000250802A2230, 16 bytes long.
 Data: < \( P           > 20 5C 28 80 50 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000025080285C20, 320 bytes long.
 Data: <0"* P   &#240;&#212;) P   > 30 22 2A 80 50 02 00 00 F0 D4 29 80 50 02 00 00 
{270} normal block at 0x00000250802A1830, 16 bytes long.
 Data: <&#208;<* P           > D0 3C 2A 80 50 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000250802A1C90, 16 bytes long.
 Data: <&#168;<* P           > A8 3C 2A 80 50 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002508029D2B0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x00000250802A20F0, 16 bytes long.
 Data: < <* P           > 80 3C 2A 80 50 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002508029D8B0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x00000250802A1BF0, 16 bytes long.
 Data: <&#200;;* P           > C8 3B 2A 80 50 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000250802A1FB0, 16 bytes long.
 Data: <&#160;;* P           > A0 3B 2A 80 50 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000250802A1B00, 16 bytes long.
 Data: <x;* P           > 78 3B 2A 80 50 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000250802A1E70, 16 bytes long.
 Data: <P;* P           > 50 3B 2A 80 50 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000250802A2140, 16 bytes long.
 Data: <(;* P           > 28 3B 2A 80 50 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000250802A1AB0, 16 bytes long.
 Data: < ;* P           > 00 3B 2A 80 50 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000250802A1A10, 16 bytes long.
 Data: <&#192;&#187;) P           > C0 BB 29 80 50 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002508029BBC0, 40 bytes long.
 Data: <  * P    &#190;&#249; P   > 10 1A 2A 80 50 02 00 00 00 BE F9 81 50 02 00 00 
{256} normal block at 0x00000250802A17E0, 16 bytes long.
 Data: <&#224;:* P           > E0 3A 2A 80 50 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000250802A18D0, 16 bytes long.
 Data: <&#184;:* P           > B8 3A 2A 80 50 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002508029D370, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x00000250802A1560, 16 bytes long.
 Data: < :* P           > 90 3A 2A 80 50 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x00000250802A3A90, 992 bytes long.
 Data: <` * P   p&#211;) P   > 60 15 2A 80 50 02 00 00 70 D3 29 80 50 02 00 00 
{88} normal block at 0x000002508029D9D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x00000250802973E0, 16 bytes long.
 Data: <P&#187;) P           > 50 BB 29 80 50 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x000002508029BB50, 40 bytes long.
 Data: <&#224;s) P   &#208;&#217;) P   > E0 73 29 80 50 02 00 00 D0 D9 29 80 50 02 00 00 
{65} normal block at 0x0000025080296FD0, 16 bytes long.
 Data: < &#234;F &#247;           > 80 EA 46 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000025080297570, 16 bytes long.
 Data: <@&#233;F &#247;           > 40 E9 46 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000025080296A30, 16 bytes long.
 Data: <&#248;WC &#247;           > F8 57 43 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000025080296C60, 16 bytes long.
 Data: <&#216;WC &#247;           > D8 57 43 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000025080297250, 16 bytes long.
 Data: <P C &#247;           > 50 04 43 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000025080297200, 16 bytes long.
 Data: <0 C &#247;           > 30 04 43 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000025080296760, 16 bytes long.
 Data: <&#224; C &#247;           > E0 02 43 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000025080296B70, 16 bytes long.
 Data: <  C &#247;           > 10 04 43 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000025080297480, 16 bytes long.
 Data: <p C &#247;           > 70 04 43 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000025080296850, 16 bytes long.
 Data: < &#192;A &#247;           > 18 C0 41 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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