Task 38662609

Name test_79-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND2789_0
Workunit 31605858
Created 24 Oct 2026, 19:54:30 UTC
Sent 24 Oct 2026, 19:54:40 UTC
Report deadline 29 Oct 2026, 19:54:40 UTC
Received 24 Oct 2026, 20:42:06 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648286
Run time 24 min 25 sec
CPU time 23 min 12 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 35,585.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 699.17 MB
Peak swap size 7.01 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:56:09 (1940): wrapper (7.9.26016): starting
21:56:09 (1940): 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
21:56:11 (1940): Library/usr/bin/tar.exe exited; CPU time 0.015625
21:56:11 (1940): 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\0\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\0\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
22:19:29 (1940): C:/Windows/system32/cmd.exe exited; CPU time 1392.500000
22:19:29 (1940): 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: 16337537 bytes.
Dumping objects ->
{3835261} normal block at 0x00000182851493B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835250} normal block at 0x00000182851490A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835239} normal block at 0x0000018285149650, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835228} normal block at 0x0000018285148A10, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835217} normal block at 0x0000018285149810, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835186} normal block at 0x0000018286E14760, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835175} normal block at 0x0000018286E75C50, 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) : {3835172} normal block at 0x000001828511FA10, 8 bytes long.
 Data: <  Z&#133;&#130;   > 00 00 5A 85 82 01 00 00 
{3834575} normal block at 0x0000018286E751D0, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833981} normal block at 0x000001828511F010, 8 bytes long.
 Data: <@)&#231;&#134;&#130;   > 40 29 E7 86 82 01 00 00 
..\zip\boinc_zip.cpp(122) : {322} normal block at 0x0000018285121CD0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x0000018285116A60, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{306} normal block at 0x0000018285125880, 16 bytes long.
 Data: <Hh &#133;&#130;           > 48 68 12 85 82 01 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x00000182851257E0, 16 bytes long.
 Data: < h &#133;&#130;           > 20 68 12 85 82 01 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x000001828511D820, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{303} normal block at 0x0000018285125B00, 16 bytes long.
 Data: <&#248;g &#133;&#130;           > F8 67 12 85 82 01 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000018285125560, 16 bytes long.
 Data: <&#208;g &#133;&#130;           > D0 67 12 85 82 01 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000018285125740, 16 bytes long.
 Data: <&#168;g &#133;&#130;           > A8 67 12 85 82 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000018285125CE0, 16 bytes long.
 Data: < g &#133;&#130;           > 80 67 12 85 82 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000182851201E0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{298} normal block at 0x0000018285125970, 16 bytes long.
 Data: <x&#245; &#133;&#130;           > 78 F5 10 85 82 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001828511E000, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{296} normal block at 0x0000018285125AB0, 16 bytes long.
 Data: <P&#245; &#133;&#130;           > 50 F5 10 85 82 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000182851264B0, 16 bytes long.
 Data: <(&#245; &#133;&#130;           > 28 F5 10 85 82 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000018285125B50, 16 bytes long.
 Data: < &#245; &#133;&#130;           > 00 F5 10 85 82 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000018285125A60, 16 bytes long.
 Data: <&#216;&#244; &#133;&#130;           > D8 F4 10 85 82 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000018285126460, 16 bytes long.
 Data: <&#176;&#244; &#133;&#130;           > B0 F4 10 85 82 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000018285126230, 16 bytes long.
 Data: < &#244; &#133;&#130;           > 88 F4 10 85 82 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001828511DF40, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{288} normal block at 0x0000018285126410, 16 bytes long.
 Data: <`&#244; &#133;&#130;           > 60 F4 10 85 82 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001828510F460, 320 bytes long.
 Data: < d &#133;&#130;   @&#223; &#133;&#130;   > 10 64 12 85 82 01 00 00 40 DF 11 85 82 01 00 00 
{286} normal block at 0x0000018285125650, 16 bytes long.
 Data: <`g &#133;&#130;           > 60 67 12 85 82 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000018285126190, 16 bytes long.
 Data: <8g &#133;&#130;           > 38 67 12 85 82 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001828511D640, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{283} normal block at 0x0000018285126140, 16 bytes long.
 Data: < g &#133;&#130;           > 10 67 12 85 82 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001828511DEE0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{281} normal block at 0x00000182851261E0, 16 bytes long.
 Data: <Xf &#133;&#130;           > 58 66 12 85 82 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000018285125A10, 16 bytes long.
 Data: <0f &#133;&#130;           > 30 66 12 85 82 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000182851263C0, 16 bytes long.
 Data: < f &#133;&#130;           > 08 66 12 85 82 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000018285125830, 16 bytes long.
 Data: <&#224;e &#133;&#130;           > E0 65 12 85 82 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000018285126320, 16 bytes long.
 Data: <&#184;e &#133;&#130;           > B8 65 12 85 82 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000018285126280, 16 bytes long.
 Data: < e &#133;&#130;           > 90 65 12 85 82 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000182851260A0, 16 bytes long.
 Data: <&#192;&#251; &#133;&#130;           > C0 FB 11 85 82 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001828511FBC0, 40 bytes long.
 Data: <&#160;` &#133;&#130;   `G&#225;&#134;&#130;   > A0 60 12 85 82 01 00 00 60 47 E1 86 82 01 00 00 
{272} normal block at 0x0000018285125920, 16 bytes long.
 Data: <pe &#133;&#130;           > 70 65 12 85 82 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000018285125790, 16 bytes long.
 Data: <He &#133;&#130;           > 48 65 12 85 82 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001828511E180, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{269} normal block at 0x00000182851262D0, 16 bytes long.
 Data: < e &#133;&#130;           > 20 65 12 85 82 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000018285126520, 992 bytes long.
 Data: <&#208;b &#133;&#130;    &#225; &#133;&#130;   > D0 62 12 85 82 01 00 00 80 E1 11 85 82 01 00 00 
{104} normal block at 0x000001828511DAC0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{103} normal block at 0x000001828511F470, 16 bytes long.
 Data: < &#253; &#133;&#130;           > 80 FD 11 85 82 01 00 00 00 00 00 00 00 00 00 00 
{102} normal block at 0x000001828511FD80, 40 bytes long.
 Data: <p&#244; &#133;&#130;   &#192;&#218; &#133;&#130;   > 70 F4 11 85 82 01 00 00 C0 DA 11 85 82 01 00 00 
{81} normal block at 0x000001828511F970, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 0C 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x000001828511F510, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 0C 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x000001828511EDE0, 16 bytes long.
 Data: <&#248;W	 &#247;           > F8 57 09 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x000001828511F060, 16 bytes long.
 Data: <&#216;W	 &#247;           > D8 57 09 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x000001828511ED90, 16 bytes long.
 Data: <P 	 &#247;           > 50 04 09 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x000001828511F9C0, 16 bytes long.
 Data: <0 	 &#247;           > 30 04 09 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000001828511FB00, 16 bytes long.
 Data: <&#224; 	 &#247;           > E0 02 09 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001828511F330, 16 bytes long.
 Data: <  	 &#247;           > 10 04 09 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001828511FAB0, 16 bytes long.
 Data: <p 	 &#247;           > 70 04 09 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001828511F3D0, 16 bytes long.
 Data: < &#192;  &#247;           > 18 C0 07 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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