Task 38670385

Name test_796-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND8183_1
Workunit 31612613
Created 25 Oct 2026, 17:21:36 UTC
Sent 25 Oct 2026, 17:21:38 UTC
Report deadline 30 Oct 2026, 17:21:38 UTC
Received 25 Oct 2026, 18:58:57 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 630626
Run time 23 min 20 sec
CPU time 20 min 28 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 40,323.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 729.52 MB
Peak swap size 5.45 GB
Peak disk usage 3.11 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:35:21 (29452): wrapper (7.9.26016): starting
14:35:21 (29452): 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
14:35:22 (29452): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:35:22 (29452): 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\12\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\12\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
14:58:34 (29452): C:/Windows/system32/cmd.exe exited; CPU time 1228.171875
14:58:34 (29452): 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: 30156613 bytes.
Dumping objects ->
{3835576} normal block at 0x0000021386D3D570, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835565} normal block at 0x0000021386D3D880, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835554} normal block at 0x00000213851554A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835543} normal block at 0x0000021385155430, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835532} normal block at 0x00000213851553C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835501} normal block at 0x0000021386D887C0, 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) : {3835488} normal block at 0x000002138514DD80, 8 bytes long.
 Data: <   &#133;    > 00 00 0D 85 13 02 00 00 
{3833961} normal block at 0x000002138514D970, 8 bytes long.
 Data: <&#192;C&#222;&#134;    > C0 43 DE 86 13 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000021385151A40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000021385146A80, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x0000021385156310, 16 bytes long.
 Data: <&#248;p &#133;            > F8 70 15 85 13 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000021385156720, 16 bytes long.
 Data: <&#208;p &#133;            > D0 70 15 85 13 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002138514FB90, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x00000213851569F0, 16 bytes long.
 Data: <&#168;p &#133;            > A8 70 15 85 13 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000021385155F50, 16 bytes long.
 Data: < p &#133;            > 80 70 15 85 13 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000213851569A0, 16 bytes long.
 Data: <Xp &#133;            > 58 70 15 85 13 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000021385156BD0, 16 bytes long.
 Data: <0p &#133;            > 30 70 15 85 13 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000021385155740, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x00000213851567C0, 16 bytes long.
 Data: <&#184;&#247; &#133;            > B8 F7 13 85 13 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002138514FC50, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x0000021385156D10, 16 bytes long.
 Data: < &#247; &#133;            > 90 F7 13 85 13 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021385156CC0, 16 bytes long.
 Data: <h&#247; &#133;            > 68 F7 13 85 13 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000021385156540, 16 bytes long.
 Data: <@&#247; &#133;            > 40 F7 13 85 13 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021385156C70, 16 bytes long.
 Data: < &#247; &#133;            > 18 F7 13 85 13 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000213851566D0, 16 bytes long.
 Data: <&#240;&#246; &#133;            > F0 F6 13 85 13 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000213851564F0, 16 bytes long.
 Data: <&#200;&#246; &#133;            > C8 F6 13 85 13 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002138514FB30, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x0000021385156B30, 16 bytes long.
 Data: <&#160;&#246; &#133;            > A0 F6 13 85 13 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002138513F6A0, 320 bytes long.
 Data: <0k &#133;    0&#251; &#133;    > 30 6B 15 85 13 02 00 00 30 FB 14 85 13 02 00 00 
{276} normal block at 0x0000021385156270, 16 bytes long.
 Data: < p &#133;            > 10 70 15 85 13 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000021385156950, 16 bytes long.
 Data: <&#232;o &#133;            > E8 6F 15 85 13 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000213851500D0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x0000021385156900, 16 bytes long.
 Data: <&#192;o &#133;            > C0 6F 15 85 13 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000021385150130, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x0000021385156680, 16 bytes long.
 Data: < o &#133;            > 08 6F 15 85 13 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000021385155E10, 16 bytes long.
 Data: <&#224;n &#133;            > E0 6E 15 85 13 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021385156AE0, 16 bytes long.
 Data: <&#184;n &#133;            > B8 6E 15 85 13 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000213851560E0, 16 bytes long.
 Data: < n &#133;            > 90 6E 15 85 13 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021385156A90, 16 bytes long.
 Data: <hn &#133;            > 68 6E 15 85 13 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021385156B80, 16 bytes long.
 Data: <@n &#133;            > 40 6E 15 85 13 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021385156090, 16 bytes long.
 Data: <&#208;V &#133;            > D0 56 15 85 13 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000213851556D0, 40 bytes long.
 Data: < ` &#133;    &#192;&#135;&#216;&#134;    > 90 60 15 85 13 02 00 00 C0 87 D8 86 13 02 00 00 
{262} normal block at 0x0000021385156040, 16 bytes long.
 Data: < n &#133;            > 20 6E 15 85 13 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000021385156590, 16 bytes long.
 Data: <&#248;m &#133;            > F8 6D 15 85 13 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002138514F9B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x0000021385156630, 16 bytes long.
 Data: <&#208;m &#133;            > D0 6D 15 85 13 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000021385156DD0, 992 bytes long.
 Data: <0f &#133;    &#176;&#249; &#133;    > 30 66 15 85 13 02 00 00 B0 F9 14 85 13 02 00 00 
{94} normal block at 0x000002138514FF50, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000002138514DF60, 16 bytes long.
 Data: <&#160;&#243; &#133;            > A0 F3 13 85 13 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000002138513F3A0, 40 bytes long.
 Data: <`&#223; &#133;    P&#255; &#133;    > 60 DF 14 85 13 02 00 00 50 FF 14 85 13 02 00 00 
{71} normal block at 0x000002138514DA60, 16 bytes long.
 Data: < &#234;W:&#247;           > 80 EA 57 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002138514DE70, 16 bytes long.
 Data: <@&#233;W:&#247;           > 40 E9 57 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002138514DC40, 16 bytes long.
 Data: <&#248;WT:&#247;           > F8 57 54 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002138514DFB0, 16 bytes long.
 Data: <&#216;WT:&#247;           > D8 57 54 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002138514DA10, 16 bytes long.
 Data: <P T:&#247;           > 50 04 54 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002138514E320, 16 bytes long.
 Data: <0 T:&#247;           > 30 04 54 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002138514D880, 16 bytes long.
 Data: <&#224; T:&#247;           > E0 02 54 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002138514E2D0, 16 bytes long.
 Data: <  T:&#247;           > 10 04 54 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002138514E460, 16 bytes long.
 Data: <p T:&#247;           > 70 04 54 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002138514E280, 16 bytes long.
 Data: < &#192;R:&#247;           > 18 C0 52 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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