Task 38680124

Name test_847-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND5555_1
Workunit 31621835
Created 26 Oct 2026, 22:53:31 UTC
Sent 26 Oct 2026, 22:53:33 UTC
Report deadline 31 Oct 2026, 22:53:33 UTC
Received 27 Oct 2026, 0:46:07 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 464555
Run time 37 min 26 sec
CPU time 36 min 35 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,117.86 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 691.02 MB
Peak swap size 6.86 GB
Peak disk usage 3.11 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
01:08:52 (16104): wrapper (7.9.26016): starting
01:08:52 (16104): 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
01:08:53 (16104): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:08:53 (16104): 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:\BOINC\ProgramData\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:\BOINC\ProgramData\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
01:45:20 (16104): C:/Windows/system32/cmd.exe exited; CPU time 2195.703125
01:45:20 (16104): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 26396013 bytes.
Dumping objects ->
{3835238} normal block at 0x0000026F6AC11090, 48 bytes long.
 Data: <PATH=C:\BOINC\Pr> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835227} normal block at 0x0000026F6AC11330, 48 bytes long.
 Data: <HOME=C:\BOINC\Pr> 48 4F 4D 45 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835216} normal block at 0x0000026F6AC10BC0, 48 bytes long.
 Data: <TMP=C:\BOINC\Pro> 54 4D 50 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 6F 
{3835205} normal block at 0x0000026F6AC114F0, 48 bytes long.
 Data: <TEMP=C:\BOINC\Pr> 54 45 4D 50 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835194} normal block at 0x0000026F6AC11020, 48 bytes long.
 Data: <TMPDIR=C:\BOINC\> 54 4D 50 44 49 52 3D 43 3A 5C 42 4F 49 4E 43 5C 
{3835163} normal block at 0x0000026F6AD05190, 64 bytes long.
 Data: <PATH=C:\BOINC\Pr> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835152} normal block at 0x0000026F6AC31050, 160 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) : {3835149} normal block at 0x0000026F69179C70, 8 bytes long.
 Data: <   io   > 00 00 13 69 6F 02 00 00 
{3834546} normal block at 0x0000026F6AC314B0, 160 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 0x0000026F69179EA0, 8 bytes long.
 Data: < B&#217;jo   > 90 42 D9 6A 6F 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x0000026F69184660, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000026F6916F340, 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 0x0000026F69186410, 16 bytes long.
 Data: <&#216;i io           > D8 69 18 69 6F 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000026F691860F0, 16 bytes long.
 Data: <&#176;i io           > B0 69 18 69 6F 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000026F6917E290, 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 0x0000026F691860A0, 16 bytes long.
 Data: < i io           > 88 69 18 69 6F 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000026F69186550, 16 bytes long.
 Data: <`i io           > 60 69 18 69 6F 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000026F691859C0, 16 bytes long.
 Data: <8i io           > 38 69 18 69 6F 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000026F691858D0, 16 bytes long.
 Data: < i io           > 10 69 18 69 6F 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000026F69180B40, 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 0x0000026F69185880, 16 bytes long.
 Data: < a io           > 88 61 16 69 6F 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000026F6917EA10, 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 0x0000026F69186000, 16 bytes long.
 Data: <`a io           > 60 61 16 69 6F 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000026F69185FB0, 16 bytes long.
 Data: <8a io           > 38 61 16 69 6F 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000026F69186280, 16 bytes long.
 Data: < a io           > 10 61 16 69 6F 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000026F69186050, 16 bytes long.
 Data: <&#232;` io           > E8 60 16 69 6F 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000026F69185E20, 16 bytes long.
 Data: <&#192;` io           > C0 60 16 69 6F 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000026F69185DD0, 16 bytes long.
 Data: < ` io           > 98 60 16 69 6F 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000026F6917E710, 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 0x0000026F691864B0, 16 bytes long.
 Data: <p` io           > 70 60 16 69 6F 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000026F69166070, 320 bytes long.
 Data: <&#176;d io    &#231; io   > B0 64 18 69 6F 02 00 00 10 E7 17 69 6F 02 00 00 
{270} normal block at 0x0000026F69185EC0, 16 bytes long.
 Data: <&#240;h io           > F0 68 18 69 6F 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000026F691862D0, 16 bytes long.
 Data: <&#200;h io           > C8 68 18 69 6F 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000026F6917F190, 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 0x0000026F69185D80, 16 bytes long.
 Data: <&#160;h io           > A0 68 18 69 6F 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000026F6917EB30, 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 0x0000026F69185D30, 16 bytes long.
 Data: <&#232;g io           > E8 67 18 69 6F 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000026F69185E70, 16 bytes long.
 Data: <&#192;g io           > C0 67 18 69 6F 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000026F69185F10, 16 bytes long.
 Data: < g io           > 98 67 18 69 6F 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000026F69185CE0, 16 bytes long.
 Data: <pg io           > 70 67 18 69 6F 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000026F69186640, 16 bytes long.
 Data: <Hg io           > 48 67 18 69 6F 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000026F69185740, 16 bytes long.
 Data: < g io           > 20 67 18 69 6F 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000026F69185BA0, 16 bytes long.
 Data: <&#208;  io           > D0 0A 18 69 6F 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000026F69180AD0, 40 bytes long.
 Data: <&#160;[ io    Q&#208;jo   > A0 5B 18 69 6F 02 00 00 90 51 D0 6A 6F 02 00 00 
{256} normal block at 0x0000026F69185A10, 16 bytes long.
 Data: < g io           > 00 67 18 69 6F 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000026F69185970, 16 bytes long.
 Data: <&#216;f io           > D8 66 18 69 6F 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000026F6917EA70, 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 0x0000026F69185B50, 16 bytes long.
 Data: <&#176;f io           > B0 66 18 69 6F 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000026F691866B0, 992 bytes long.
 Data: <P[ io   p&#234; io   > 50 5B 18 69 6F 02 00 00 70 EA 17 69 6F 02 00 00 
{88} normal block at 0x0000026F6917E3B0, 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 0x0000026F69179C20, 16 bytes long.
 Data: <0  io           > 30 08 18 69 6F 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x0000026F69180830, 40 bytes long.
 Data: < &#156; io   &#176;&#227; io   > 20 9C 17 69 6F 02 00 00 B0 E3 17 69 6F 02 00 00 
{65} normal block at 0x0000026F6917A300, 16 bytes long.
 Data: < &#234;&#227;i&#247;           > 80 EA E3 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000026F691797C0, 16 bytes long.
 Data: <@&#233;&#227;i&#247;           > 40 E9 E3 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000026F69179F40, 16 bytes long.
 Data: <&#248;W&#224;i&#247;           > F8 57 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000026F6917A260, 16 bytes long.
 Data: <&#216;W&#224;i&#247;           > D8 57 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000026F6917A440, 16 bytes long.
 Data: <P &#224;i&#247;           > 50 04 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000026F691795E0, 16 bytes long.
 Data: <0 &#224;i&#247;           > 30 04 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000026F69179720, 16 bytes long.
 Data: <&#224; &#224;i&#247;           > E0 02 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000026F69179B80, 16 bytes long.
 Data: <  &#224;i&#247;           > 10 04 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000026F691796D0, 16 bytes long.
 Data: <p &#224;i&#247;           > 70 04 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000026F69179680, 16 bytes long.
 Data: < &#192;&#222;i&#247;           > 18 C0 DE 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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