Task 38647056

Name test_284-GPUGRID_TEST_ATM_500_20261023-0-1-RND2901_2
Workunit 31590621
Created 23 Oct 2026, 18:26:45 UTC
Sent 23 Oct 2026, 18:32:45 UTC
Report deadline 28 Oct 2026, 18:32:45 UTC
Received 23 Oct 2026, 19:20:10 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 585156
Run time 30 min 12 sec
CPU time 29 min 12 sec
Validate state Valid
Credit 1,000.00
Device peak FLOPS 43,943.47 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 720.22 MB
Peak swap size 7.01 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:49:42 (2976): wrapper (7.9.26016): starting
20:49:42 (2976): 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
20:49:43 (2976): Library/usr/bin/tar.exe exited; CPU time 0.015625
20:49:43 (2976): 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\3\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\3\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
21:18:53 (2976): C:/Windows/system32/cmd.exe exited; CPU time 1752.687500
21:18:53 (2976): 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: 40033247 bytes.
Dumping objects ->
{3835244} normal block at 0x0000027765466D50, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x00000277654668F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835222} normal block at 0x0000027765466F10, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835211} normal block at 0x0000027765466650, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835200} normal block at 0x00000277654666C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835169} normal block at 0x0000027765467C10, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835158} normal block at 0x0000027766FBDD70, 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) : {3835155} normal block at 0x0000027765436F10, 8 bytes long.
 Data: <  ?ew   > 00 00 3F 65 77 02 00 00 
{3834549} normal block at 0x0000027766FBDCC0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x00000277654378C0, 8 bytes long.
 Data: <&#176;j&#255;fw   > B0 6A FF 66 77 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000027765441D00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000277654260C0, 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 0x00000277654431A0, 16 bytes long.
 Data: <8CDew           > 38 43 44 65 77 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000027765443600, 16 bytes long.
 Data: < CDew           > 10 43 44 65 77 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002776543C750, 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 0x00000277654435B0, 16 bytes long.
 Data: <&#232;BDew           > E8 42 44 65 77 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000027765443A10, 16 bytes long.
 Data: <&#192;BDew           > C0 42 44 65 77 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000027765442FC0, 16 bytes long.
 Data: < BDew           > 98 42 44 65 77 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000027765443240, 16 bytes long.
 Data: <pBDew           > 70 42 44 65 77 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002776543DD40, 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 0x0000027765443470, 16 bytes long.
 Data: <&#168;&#216;Cew           > A8 D8 43 65 77 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002776543BDF0, 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 0x0000027765443560, 16 bytes long.
 Data: < &#216;Cew           > 80 D8 43 65 77 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000027765443420, 16 bytes long.
 Data: <X&#216;Cew           > 58 D8 43 65 77 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000027765442CF0, 16 bytes long.
 Data: <0&#216;Cew           > 30 D8 43 65 77 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000277654433D0, 16 bytes long.
 Data: < &#216;Cew           > 08 D8 43 65 77 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000277654430B0, 16 bytes long.
 Data: <&#224;&#215;Cew           > E0 D7 43 65 77 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000027765443BA0, 16 bytes long.
 Data: <&#184;&#215;Cew           > B8 D7 43 65 77 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002776543C3F0, 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 0x0000027765443740, 16 bytes long.
 Data: < &#215;Cew           > 90 D7 43 65 77 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002776543D790, 320 bytes long.
 Data: <@7Dew   &#240;&#195;Cew   > 40 37 44 65 77 02 00 00 F0 C3 43 65 77 02 00 00 
{278} normal block at 0x0000027765443B50, 16 bytes long.
 Data: <PBDew           > 50 42 44 65 77 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000027765443010, 16 bytes long.
 Data: <(BDew           > 28 42 44 65 77 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002776543C570, 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 0x0000027765443330, 16 bytes long.
 Data: < BDew           > 00 42 44 65 77 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002776543BE50, 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 0x00000277654431F0, 16 bytes long.
 Data: <HADew           > 48 41 44 65 77 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000027765443290, 16 bytes long.
 Data: < ADew           > 20 41 44 65 77 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000277654432E0, 16 bytes long.
 Data: <&#248;@Dew           > F8 40 44 65 77 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000027765443B00, 16 bytes long.
 Data: <&#208;@Dew           > D0 40 44 65 77 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000277654436F0, 16 bytes long.
 Data: <&#168;@Dew           > A8 40 44 65 77 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000027765443AB0, 16 bytes long.
 Data: < @Dew           > 80 40 44 65 77 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000277654436A0, 16 bytes long.
 Data: <P&#224;Cew           > 50 E0 43 65 77 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002776543E050, 40 bytes long.
 Data: <&#160;6Dew    |Few   > A0 36 44 65 77 02 00 00 10 7C 46 65 77 02 00 00 
{264} normal block at 0x0000027765443830, 16 bytes long.
 Data: <`@Dew           > 60 40 44 65 77 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000027765443970, 16 bytes long.
 Data: <8@Dew           > 38 40 44 65 77 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002776543BC70, 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 0x0000027765442F70, 16 bytes long.
 Data: < @Dew           > 10 40 44 65 77 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000027765444010, 992 bytes long.
 Data: <p/Dew   p&#188;Cew   > 70 2F 44 65 77 02 00 00 70 BC 43 65 77 02 00 00 
{96} normal block at 0x000002776543BFD0, 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 0x00000277654370A0, 16 bytes long.
 Data: <`&#220;Cew           > 60 DC 43 65 77 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000002776543DC60, 40 bytes long.
 Data: <&#160;pCew   &#208;&#191;Cew   > A0 70 43 65 77 02 00 00 D0 BF 43 65 77 02 00 00 
{73} normal block at 0x0000027765437730, 16 bytes long.
 Data: < &#234;9c&#246;           > 80 EA 39 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000027765437870, 16 bytes long.
 Data: <@&#233;9c&#246;           > 40 E9 39 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000027765436E70, 16 bytes long.
 Data: <&#248;W6c&#246;           > F8 57 36 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000027765437190, 16 bytes long.
 Data: <&#216;W6c&#246;           > D8 57 36 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000027765436C40, 16 bytes long.
 Data: <P 6c&#246;           > 50 04 36 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000277654375A0, 16 bytes long.
 Data: <0 6c&#246;           > 30 04 36 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000027765437550, 16 bytes long.
 Data: <&#224; 6c&#246;           > E0 02 36 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000277654372D0, 16 bytes long.
 Data: <  6c&#246;           > 10 04 36 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000027765437640, 16 bytes long.
 Data: <p 6c&#246;           > 70 04 36 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000027765436C90, 16 bytes long.
 Data: < &#192;4c&#246;           > 18 C0 34 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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