Task 38668447

Name test_317-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND5431_0
Workunit 31610966
Created 25 Oct 2026, 11:48:43 UTC
Sent 25 Oct 2026, 11:48:45 UTC
Report deadline 30 Oct 2026, 11:48:45 UTC
Received 25 Oct 2026, 13:09:26 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 550955
Run time 52 min 18 sec
CPU time 47 min 24 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 23,243.30 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 719.54 MB
Peak swap size 9.89 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:17:33 (18572): wrapper (7.9.26016): starting
13:17:33 (18572): 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
13:17:34 (18572): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:17:34 (18572): 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\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\BOINC\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
14:08:54 (18572): C:/Windows/system32/cmd.exe exited; CPU time 2844.140625
14:08:54 (18572): 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: 38841181 bytes.
Dumping objects ->
{3835234} normal block at 0x0000027C1E0ACD60, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x0000027C1E0AD380, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x0000027C1E0ACF20, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835201} normal block at 0x0000027C1E0ACCF0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835190} normal block at 0x0000027C1C385030, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835159} normal block at 0x0000027C1E0FA520, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835148} normal block at 0x0000027C1E10EDF0, 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) : {3835145} normal block at 0x0000027C1C37ECB0, 8 bytes long.
 Data: <  &#132; |   > 00 00 84 1C 7C 02 00 00 
{3834542} normal block at 0x0000027C1E10EC90, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x0000027C1C37EDF0, 8 bytes long.
 Data: <&#208;3  |   > D0 33 15 1E 7C 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000027C1C380FF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000027C1C376B60, 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 0x0000027C1C3856C0, 16 bytes long.
 Data: < i8 |           > 08 69 38 1C 7C 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000027C1C385990, 16 bytes long.
 Data: <&#224;h8 |           > E0 68 38 1C 7C 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000027C1C37FF00, 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 0x0000027C1C385F30, 16 bytes long.
 Data: <&#184;h8 |           > B8 68 38 1C 7C 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000027C1C385670, 16 bytes long.
 Data: < h8 |           > 90 68 38 1C 7C 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000027C1C386340, 16 bytes long.
 Data: <hh8 |           > 68 68 38 1C 7C 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000027C1C3864D0, 16 bytes long.
 Data: <@h8 |           > 40 68 38 1C 7C 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000027C1C384D20, 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 0x0000027C1C385710, 16 bytes long.
 Data: <8&#232;7 |           > 38 E8 37 1C 7C 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000027C1C380740, 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 0x0000027C1C386480, 16 bytes long.
 Data: < &#232;7 |           > 10 E8 37 1C 7C 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000027C1C386430, 16 bytes long.
 Data: <&#232;&#231;7 |           > E8 E7 37 1C 7C 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000027C1C3858F0, 16 bytes long.
 Data: <&#192;&#231;7 |           > C0 E7 37 1C 7C 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000027C1C386520, 16 bytes long.
 Data: < &#231;7 |           > 98 E7 37 1C 7C 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000027C1C385AD0, 16 bytes long.
 Data: <p&#231;7 |           > 70 E7 37 1C 7C 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000027C1C385E40, 16 bytes long.
 Data: <H&#231;7 |           > 48 E7 37 1C 7C 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000027C1C3804A0, 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 0x0000027C1C3862F0, 16 bytes long.
 Data: < &#231;7 |           > 20 E7 37 1C 7C 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000027C1C37E720, 320 bytes long.
 Data: <&#240;b8 |   &#160; 8 |   > F0 62 38 1C 7C 02 00 00 A0 04 38 1C 7C 02 00 00 
{276} normal block at 0x0000027C1C3862A0, 16 bytes long.
 Data: < h8 |           > 20 68 38 1C 7C 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000027C1C385B70, 16 bytes long.
 Data: <&#248;g8 |           > F8 67 38 1C 7C 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000027C1C380560, 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 0x0000027C1C386250, 16 bytes long.
 Data: <&#208;g8 |           > D0 67 38 1C 7C 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000027C1C3809E0, 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 0x0000027C1C386200, 16 bytes long.
 Data: < g8 |           > 18 67 38 1C 7C 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000027C1C385760, 16 bytes long.
 Data: <&#240;f8 |           > F0 66 38 1C 7C 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000027C1C3863E0, 16 bytes long.
 Data: <&#200;f8 |           > C8 66 38 1C 7C 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000027C1C385620, 16 bytes long.
 Data: <&#160;f8 |           > A0 66 38 1C 7C 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000027C1C385A80, 16 bytes long.
 Data: <xf8 |           > 78 66 38 1C 7C 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000027C1C386570, 16 bytes long.
 Data: <Pf8 |           > 50 66 38 1C 7C 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000027C1C386390, 16 bytes long.
 Data: <&#176;L8 |           > B0 4C 38 1C 7C 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000027C1C384CB0, 40 bytes long.
 Data: < c8 |    &#165;  |   > 90 63 38 1C 7C 02 00 00 20 A5 0F 1E 7C 02 00 00 
{262} normal block at 0x0000027C1C3861B0, 16 bytes long.
 Data: <0f8 |           > 30 66 38 1C 7C 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000027C1C3858A0, 16 bytes long.
 Data: < f8 |           > 08 66 38 1C 7C 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000027C1C37FCC0, 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 0x0000027C1C385DF0, 16 bytes long.
 Data: <&#224;e8 |           > E0 65 38 1C 7C 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000027C1C3865E0, 992 bytes long.
 Data: <&#240;]8 |   &#192;&#252;7 |   > F0 5D 38 1C 7C 02 00 00 C0 FC 37 1C 7C 02 00 00 
{94} normal block at 0x0000027C1C37FE40, 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 0x0000027C1C37F890, 16 bytes long.
 Data: <PO8 |           > 50 4F 38 1C 7C 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000027C1C384F50, 40 bytes long.
 Data: < &#248;7 |   @&#254;7 |   > 90 F8 37 1C 7C 02 00 00 40 FE 37 1C 7C 02 00 00 
{71} normal block at 0x0000027C1C37EFD0, 16 bytes long.
 Data: < &#234;9T&#246;           > 80 EA 39 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000027C1C37EF30, 16 bytes long.
 Data: <@&#233;9T&#246;           > 40 E9 39 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000027C1C37EC60, 16 bytes long.
 Data: <&#248;W6T&#246;           > F8 57 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000027C1C37F110, 16 bytes long.
 Data: <&#216;W6T&#246;           > D8 57 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000027C1C37EC10, 16 bytes long.
 Data: <P 6T&#246;           > 50 04 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000027C1C37F7F0, 16 bytes long.
 Data: <0 6T&#246;           > 30 04 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000027C1C37F070, 16 bytes long.
 Data: <&#224; 6T&#246;           > E0 02 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000027C1C37F340, 16 bytes long.
 Data: <  6T&#246;           > 10 04 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000027C1C37F8E0, 16 bytes long.
 Data: <p 6T&#246;           > 70 04 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000027C1C37ED50, 16 bytes long.
 Data: < &#192;4T&#246;           > 18 C0 34 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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