Task 38689476

Name test_825-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND0791_0
Workunit 31630728
Created 28 Oct 2026, 21:13:55 UTC
Sent 28 Oct 2026, 21:13:57 UTC
Report deadline 2 Nov 2026, 21:13:57 UTC
Received 28 Oct 2026, 23:23:00 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 597727
Run time 2 hours 3 min 53 sec
CPU time 1 hours 57 min 10 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 7,606.81 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 720.67 MB
Peak swap size 6.86 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:18:52 (74552): wrapper (7.9.26016): starting
17:18:52 (74552): 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
17:18:53 (74552): Library/usr/bin/tar.exe exited; CPU time 0.015625
17:18:53 (74552): 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\18\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\18\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
19:22:22 (74552): C:/Windows/system32/cmd.exe exited; CPU time 7030.453125
19:22:22 (74552): 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: 199362689 bytes.
Dumping objects ->
{3835536} normal block at 0x000001619284D3F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835525} normal block at 0x000001619284C7B0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835514} normal block at 0x000001619284D2A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835503} normal block at 0x0000016190C55110, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835492} normal block at 0x0000016190C54FC0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835461} normal block at 0x0000016192898550, 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) : {3835448} normal block at 0x0000016190C4D920, 8 bytes long.
 Data: <  &#190; a   > 00 00 BE 90 61 01 00 00 
{3833965} normal block at 0x0000016190C4D4C0, 8 bytes long.
 Data: <&#176;&#227;w&#146;a   > B0 E3 77 92 61 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000016190C50C90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000016190C465A0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x0000016190C55800, 16 bytes long.
 Data: < i&#197; a           > 08 69 C5 90 61 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000016190C55D50, 16 bytes long.
 Data: <&#224;h&#197; a           > E0 68 C5 90 61 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000016190C4F880, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x0000016190C55760, 16 bytes long.
 Data: <&#184;h&#197; a           > B8 68 C5 90 61 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000016190C55990, 16 bytes long.
 Data: < h&#197; a           > 90 68 C5 90 61 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000016190C55850, 16 bytes long.
 Data: <hh&#197; a           > 68 68 C5 90 61 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000016190C55C60, 16 bytes long.
 Data: <@h&#197; a           > 40 68 C5 90 61 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000016190C54A80, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x0000016190C55F80, 16 bytes long.
 Data: <X&#232;&#196; a           > 58 E8 C4 90 61 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000016190C4F220, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x0000016190C55940, 16 bytes long.
 Data: <0&#232;&#196; a           > 30 E8 C4 90 61 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000016190C55E90, 16 bytes long.
 Data: < &#232;&#196; a           > 08 E8 C4 90 61 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000016190C55710, 16 bytes long.
 Data: <&#224;&#231;&#196; a           > E0 E7 C4 90 61 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000016190C56340, 16 bytes long.
 Data: <&#184;&#231;&#196; a           > B8 E7 C4 90 61 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000016190C562A0, 16 bytes long.
 Data: < &#231;&#196; a           > 90 E7 C4 90 61 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000016190C55FD0, 16 bytes long.
 Data: <h&#231;&#196; a           > 68 E7 C4 90 61 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000016190C4F460, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x0000016190C558F0, 16 bytes long.
 Data: <@&#231;&#196; a           > 40 E7 C4 90 61 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000016190C4E740, 320 bytes long.
 Data: <&#240;X&#197; a   `&#244;&#196; a   > F0 58 C5 90 61 01 00 00 60 F4 C4 90 61 01 00 00 
{278} normal block at 0x0000016190C56200, 16 bytes long.
 Data: < h&#197; a           > 20 68 C5 90 61 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000016190C56430, 16 bytes long.
 Data: <&#248;g&#197; a           > F8 67 C5 90 61 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000016190C4F700, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x0000016190C556C0, 16 bytes long.
 Data: <&#208;g&#197; a           > D0 67 C5 90 61 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000016190C4EFE0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x0000016190C56160, 16 bytes long.
 Data: < g&#197; a           > 18 67 C5 90 61 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000016190C562F0, 16 bytes long.
 Data: <&#240;f&#197; a           > F0 66 C5 90 61 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000016190C558A0, 16 bytes long.
 Data: <&#200;f&#197; a           > C8 66 C5 90 61 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000016190C56250, 16 bytes long.
 Data: <&#160;f&#197; a           > A0 66 C5 90 61 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000016190C563E0, 16 bytes long.
 Data: <xf&#197; a           > 78 66 C5 90 61 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000016190C55F30, 16 bytes long.
 Data: <Pf&#197; a           > 50 66 C5 90 61 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000016190C55EE0, 16 bytes long.
 Data: <&#176;L&#197; a           > B0 4C C5 90 61 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000016190C54CB0, 40 bytes long.
 Data: <&#224;^&#197; a   P&#133;&#137;&#146;a   > E0 5E C5 90 61 01 00 00 50 85 89 92 61 01 00 00 
{264} normal block at 0x0000016190C557B0, 16 bytes long.
 Data: <0f&#197; a           > 30 66 C5 90 61 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000016190C56570, 16 bytes long.
 Data: < f&#197; a           > 08 66 C5 90 61 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000016190C4F400, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x0000016190C561B0, 16 bytes long.
 Data: <&#224;e&#197; a           > E0 65 C5 90 61 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000016190C565E0, 992 bytes long.
 Data: <&#176;a&#197; a    &#244;&#196; a   > B0 61 C5 90 61 01 00 00 00 F4 C4 90 61 01 00 00 
{96} normal block at 0x0000016190C4EEC0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x0000016190C4DF60, 16 bytes long.
 Data: <&#160;P&#197; a           > A0 50 C5 90 61 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x0000016190C550A0, 40 bytes long.
 Data: <`&#223;&#196; a   &#192;&#238;&#196; a   > 60 DF C4 90 61 01 00 00 C0 EE C4 90 61 01 00 00 
{73} normal block at 0x0000016190C4D380, 16 bytes long.
 Data: < &#234;&#208;&#230;&#247;           > 80 EA D0 E6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000016190C4D790, 16 bytes long.
 Data: <@&#233;&#208;&#230;&#247;           > 40 E9 D0 E6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000016190C4E140, 16 bytes long.
 Data: <&#248;W&#205;&#230;&#247;           > F8 57 CD E6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000016190C4DBF0, 16 bytes long.
 Data: <&#216;W&#205;&#230;&#247;           > D8 57 CD E6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000016190C4DBA0, 16 bytes long.
 Data: <P &#205;&#230;&#247;           > 50 04 CD E6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000016190C4D6F0, 16 bytes long.
 Data: <0 &#205;&#230;&#247;           > 30 04 CD E6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000016190C4D740, 16 bytes long.
 Data: <&#224; &#205;&#230;&#247;           > E0 02 CD E6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000016190C4DA10, 16 bytes long.
 Data: <  &#205;&#230;&#247;           > 10 04 CD E6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000016190C4E0F0, 16 bytes long.
 Data: <p &#205;&#230;&#247;           > 70 04 CD E6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000016190C4DEC0, 16 bytes long.
 Data: < &#192;&#203;&#230;&#247;           > 18 C0 CB E6 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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