Task 38684202

Name test_805-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND1243_0
Workunit 31625723
Created 27 Oct 2026, 15:10:19 UTC
Sent 27 Oct 2026, 15:10:32 UTC
Report deadline 1 Nov 2026, 15:10:32 UTC
Received 27 Oct 2026, 16:18:55 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648534
Run time 18 min 30 sec
CPU time 18 min 30 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 757.13 MB
Peak swap size 11.55 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:59:01 (13892): wrapper (7.9.26016): starting
16:59:01 (13892): 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
16:59:02 (13892): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:59:02 (13892): 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
17:18:29 (13892): C:/Windows/system32/cmd.exe exited; CPU time 1110.125000
17:18:29 (13892): 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: 26584705 bytes.
Dumping objects ->
{3835281} normal block at 0x0000026B47F1A920, 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 0x0000026B47F1AA70, 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 0x0000026B47F1B480, 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 0x0000026B46232AC0, 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 0x0000026B462327B0, 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 0x0000026B47F65060, 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 0x0000026B47F7D0D0, 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 0x0000026B4622DDD0, 8 bytes long.
 Data: <   Fk   > 00 00 1B 46 6B 02 00 00 
{3834568} normal block at 0x0000026B47F7CE10, 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 0x0000026B4622E460, 8 bytes long.
 Data: <&#176;&#227;&#231;Gk   > B0 E3 E7 47 6B 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000026B462271B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000026B4621F900, 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 0x0000026B462332E0, 16 bytes long.
 Data: <&#168;F#Fk           > A8 46 23 46 6B 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000026B46233330, 16 bytes long.
 Data: < F#Fk           > 80 46 23 46 6B 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000026B4622E890, 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 0x0000026B46233560, 16 bytes long.
 Data: <XF#Fk           > 58 46 23 46 6B 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000026B46233290, 16 bytes long.
 Data: <0F#Fk           > 30 46 23 46 6B 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000026B46233920, 16 bytes long.
 Data: < F#Fk           > 08 46 23 46 6B 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000026B46233240, 16 bytes long.
 Data: <&#224;E#Fk           > E0 45 23 46 6B 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000026B46232970, 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 0x0000026B462331F0, 16 bytes long.
 Data: <h&#215;"Fk           > 68 D7 22 46 6B 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000026B4622F670, 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 0x0000026B46233C40, 16 bytes long.
 Data: <@&#215;"Fk           > 40 D7 22 46 6B 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000026B462331A0, 16 bytes long.
 Data: < &#215;"Fk           > 18 D7 22 46 6B 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000026B462333D0, 16 bytes long.
 Data: <&#240;&#214;"Fk           > F0 D6 22 46 6B 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000026B46233150, 16 bytes long.
 Data: <&#200;&#214;"Fk           > C8 D6 22 46 6B 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000026B46233970, 16 bytes long.
 Data: <&#160;&#214;"Fk           > A0 D6 22 46 6B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000026B46233010, 16 bytes long.
 Data: <x&#214;"Fk           > 78 D6 22 46 6B 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000026B4622EB90, 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 0x0000026B46233D80, 16 bytes long.
 Data: <P&#214;"Fk           > 50 D6 22 46 6B 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000026B4622D650, 320 bytes long.
 Data: < =#Fk    &#235;"Fk   > 80 3D 23 46 6B 02 00 00 90 EB 22 46 6B 02 00 00 
{277} normal block at 0x0000026B46233100, 16 bytes long.
 Data: <&#192;E#Fk           > C0 45 23 46 6B 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000026B46233D30, 16 bytes long.
 Data: < E#Fk           > 98 45 23 46 6B 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000026B4622F430, 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 0x0000026B46232FC0, 16 bytes long.
 Data: <pE#Fk           > 70 45 23 46 6B 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000026B4622F310, 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 0x0000026B46233F10, 16 bytes long.
 Data: <&#184;D#Fk           > B8 44 23 46 6B 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000026B46233EC0, 16 bytes long.
 Data: < D#Fk           > 90 44 23 46 6B 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000026B46233650, 16 bytes long.
 Data: <hD#Fk           > 68 44 23 46 6B 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000026B46233380, 16 bytes long.
 Data: <@D#Fk           > 40 44 23 46 6B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000026B46233C90, 16 bytes long.
 Data: < D#Fk           > 18 44 23 46 6B 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000026B462339C0, 16 bytes long.
 Data: <&#240;C#Fk           > F0 43 23 46 6B 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000026B46233CE0, 16 bytes long.
 Data: <&#240;,#Fk           > F0 2C 23 46 6B 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000026B46232CF0, 40 bytes long.
 Data: <&#224;<#Fk   `P&#246;Gk   > E0 3C 23 46 6B 02 00 00 60 50 F6 47 6B 02 00 00 
{263} normal block at 0x0000026B46233E70, 16 bytes long.
 Data: <&#208;C#Fk           > D0 43 23 46 6B 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000026B46233E20, 16 bytes long.
 Data: <&#168;C#Fk           > A8 43 23 46 6B 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000026B4622E950, 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 0x0000026B462330B0, 16 bytes long.
 Data: < C#Fk           > 80 43 23 46 6B 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000026B46234380, 992 bytes long.
 Data: <&#176;0#Fk   P&#233;"Fk   > B0 30 23 46 6B 02 00 00 50 E9 22 46 6B 02 00 00 
{95} normal block at 0x0000026B4622F610, 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 0x0000026B4622E2D0, 16 bytes long.
 Data: < (#Fk           > 90 28 23 46 6B 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000026B46232890, 40 bytes long.
 Data: <&#208;&#226;"Fk    &#246;"Fk   > D0 E2 22 46 6B 02 00 00 10 F6 22 46 6B 02 00 00 
{72} normal block at 0x0000026B4622E780, 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 0x0000026B4622DE70, 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 0x0000026B4622E230, 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 0x0000026B4622DE20, 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 0x0000026B4622DBA0, 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 0x0000026B4622DA10, 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 0x0000026B4622DA60, 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 0x0000026B4622D8D0, 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 0x0000026B4622E1E0, 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 0x0000026B4622DB00, 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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