Task 38680372

Name test_308-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND3323_0
Workunit 31622094
Created 26 Oct 2026, 23:43:28 UTC
Sent 26 Oct 2026, 23:43:38 UTC
Report deadline 31 Oct 2026, 23:43:38 UTC
Received 27 Oct 2026, 2:01:04 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648534
Run time 25 min 40 sec
CPU time 25 min 40 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 56,774.19 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 754.20 MB
Peak swap size 11.54 GB
Peak disk usage 4.06 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:32:54 (30260): wrapper (7.9.26016): starting
01:32:54 (30260): 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
01:32:55 (30260): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:32:55 (30260): 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\16\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\16\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
02:00:14 (30260): C:/Windows/system32/cmd.exe exited; CPU time 1540.609375
02:00:14 (30260): 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: 36859911 bytes.
Dumping objects ->
{3835281} normal block at 0x00000226E226B980, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835270} normal block at 0x00000226E226B360, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835259} normal block at 0x00000226E226B910, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835248} normal block at 0x00000226E0653100, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835237} normal block at 0x00000226E0652FB0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835206} normal block at 0x00000226E22B8020, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835195} normal block at 0x00000226E22CCB70, 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) : {3835192} normal block at 0x00000226E064DDD0, 8 bytes long.
 Data: <  	&#226;&   > 00 00 09 E2 26 02 00 00 
{3834568} normal block at 0x00000226E22CD300, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x00000226E064EA00, 8 bytes long.
 Data: < &#158;g&#224;&   > 10 9E 67 E0 26 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000226E0646140, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000226E0647250, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x00000226E0653BA0, 16 bytes long.
 Data: <&#184;Je&#224;&           > B8 4A 65 E0 26 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000226E0654280, 16 bytes long.
 Data: < Je&#224;&           > 90 4A 65 E0 26 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000226E064F6C0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x00000226E0653BF0, 16 bytes long.
 Data: <hJe&#224;&           > 68 4A 65 E0 26 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000226E0653A10, 16 bytes long.
 Data: <@Je&#224;&           > 40 4A 65 E0 26 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000226E06537E0, 16 bytes long.
 Data: < Je&#224;&           > 18 4A 65 E0 26 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000226E0653740, 16 bytes long.
 Data: <&#240;Ie&#224;&           > F0 49 65 E0 26 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000226E0652C30, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x00000226E0654050, 16 bytes long.
 Data: <x&#219;d&#224;&           > 78 DB 64 E0 26 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000226E064F8A0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x00000226E0653D30, 16 bytes long.
 Data: <P&#219;d&#224;&           > 50 DB 64 E0 26 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000226E0653B50, 16 bytes long.
 Data: <(&#219;d&#224;&           > 28 DB 64 E0 26 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000226E06535B0, 16 bytes long.
 Data: < &#219;d&#224;&           > 00 DB 64 E0 26 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000226E0653510, 16 bytes long.
 Data: <&#216;&#218;d&#224;&           > D8 DA 64 E0 26 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000226E0653470, 16 bytes long.
 Data: <&#176;&#218;d&#224;&           > B0 DA 64 E0 26 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000226E06533D0, 16 bytes long.
 Data: < &#218;d&#224;&           > 88 DA 64 E0 26 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000226E064F000, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x00000226E0653600, 16 bytes long.
 Data: <`&#218;d&#224;&           > 60 DA 64 E0 26 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000226E064DA60, 320 bytes long.
 Data: < 6e&#224;&    &#240;d&#224;&   > 00 36 65 E0 26 02 00 00 00 F0 64 E0 26 02 00 00 
{277} normal block at 0x00000226E0653920, 16 bytes long.
 Data: <&#208;Ie&#224;&           > D0 49 65 E0 26 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000226E06536F0, 16 bytes long.
 Data: <&#168;Ie&#224;&           > A8 49 65 E0 26 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000226E064F060, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x00000226E06536A0, 16 bytes long.
 Data: < Ie&#224;&           > 80 49 65 E0 26 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000226E064F1E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x00000226E0653C90, 16 bytes long.
 Data: <&#200;He&#224;&           > C8 48 65 E0 26 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000226E0653560, 16 bytes long.
 Data: <&#160;He&#224;&           > A0 48 65 E0 26 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000226E0653880, 16 bytes long.
 Data: <xHe&#224;&           > 78 48 65 E0 26 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000226E0653B00, 16 bytes long.
 Data: <PHe&#224;&           > 50 48 65 E0 26 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000226E0654230, 16 bytes long.
 Data: <(He&#224;&           > 28 48 65 E0 26 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000226E06539C0, 16 bytes long.
 Data: < He&#224;&           > 00 48 65 E0 26 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000226E0653420, 16 bytes long.
 Data: < 0e&#224;&           > 90 30 65 E0 26 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000226E0653090, 40 bytes long.
 Data: < 4e&#224;&     +&#226;&   > 20 34 65 E0 26 02 00 00 20 80 2B E2 26 02 00 00 
{263} normal block at 0x00000226E0653650, 16 bytes long.
 Data: <&#224;Ge&#224;&           > E0 47 65 E0 26 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000226E06534C0, 16 bytes long.
 Data: <&#184;Ge&#224;&           > B8 47 65 E0 26 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000226E064FBA0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x00000226E0653AB0, 16 bytes long.
 Data: < Ge&#224;&           > 90 47 65 E0 26 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000226E0654790, 992 bytes long.
 Data: <&#176;:e&#224;&   &#160;&#251;d&#224;&   > B0 3A 65 E0 26 02 00 00 A0 FB 64 E0 26 02 00 00 
{95} normal block at 0x00000226E064F2A0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x00000226E064E8C0, 16 bytes long.
 Data: <&#240;-e&#224;&           > F0 2D 65 E0 26 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x00000226E0652DF0, 40 bytes long.
 Data: <&#192;&#232;d&#224;&   &#160;&#242;d&#224;&   > C0 E8 64 E0 26 02 00 00 A0 F2 64 E0 26 02 00 00 
{72} normal block at 0x00000226E064E780, 16 bytes long.
 Data: < &#234; i&#246;           > 80 EA 01 69 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000226E064EAF0, 16 bytes long.
 Data: <@&#233; i&#246;           > 40 E9 01 69 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000226E064E910, 16 bytes long.
 Data: <&#248;W&#254;h&#246;           > F8 57 FE 68 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000226E064EB40, 16 bytes long.
 Data: <&#216;W&#254;h&#246;           > D8 57 FE 68 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000226E064EAA0, 16 bytes long.
 Data: <P &#254;h&#246;           > 50 04 FE 68 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000226E064E870, 16 bytes long.
 Data: <0 &#254;h&#246;           > 30 04 FE 68 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000226E064DF10, 16 bytes long.
 Data: <&#224; &#254;h&#246;           > E0 02 FE 68 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000226E064DD30, 16 bytes long.
 Data: <  &#254;h&#246;           > 10 04 FE 68 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000226E064E9B0, 16 bytes long.
 Data: <p &#254;h&#246;           > 70 04 FE 68 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000226E064E960, 16 bytes long.
 Data: < &#192;&#252;h&#246;           > 18 C0 FC 68 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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