Task 38674773

Name test_916-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND2336_1
Workunit 31616762
Created 26 Oct 2026, 6:17:29 UTC
Sent 26 Oct 2026, 6:17:32 UTC
Report deadline 31 Oct 2026, 6:17:32 UTC
Received 26 Oct 2026, 8:29:49 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648461
Run time 33 min 10 sec
CPU time 30 min 20 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 21,377.06 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 716.07 MB
Peak swap size 9.92 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:57:30 (40856): wrapper (7.9.26016): starting
03:57:30 (40856): 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
03:57:31 (40856): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:57:31 (40856): 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\31\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\31\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
04:29:30 (40856): C:/Windows/system32/cmd.exe exited; CPU time 1820.828125
04:29:30 (40856): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 38849530 bytes.
Dumping objects ->
{3835291} normal block at 0x0000025D9D87E960, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835280} normal block at 0x0000025D9D87E8F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835269} normal block at 0x0000025D9D87F060, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835258} normal block at 0x0000025D9D87EEA0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835247} normal block at 0x0000025D9D87F7D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835216} normal block at 0x0000025D9D878F40, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835205} normal block at 0x0000025D9F759A70, 85 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) : {3835202} normal block at 0x0000025D9D884E20, 8 bytes long.
 Data: <    ]   > 00 00 7F 9D 5D 02 00 00 
{3834578} normal block at 0x0000025D9F75B5F0, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833971} normal block at 0x0000025D9D884420, 8 bytes long.
 Data: <0&#228;&#145; ]   > 30 E4 91 9D 5D 02 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x0000025D9D84F760, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000025D9D8375E0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x0000025D9D885050, 16 bytes long.
 Data: <&#216;B  ]           > D8 42 88 9D 5D 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000025D9D884830, 16 bytes long.
 Data: <&#176;B  ]           > B0 42 88 9D 5D 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000025D9D87C670, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x0000025D9D884D30, 16 bytes long.
 Data: < B  ]           > 88 42 88 9D 5D 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000025D9D885190, 16 bytes long.
 Data: <`B  ]           > 60 42 88 9D 5D 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000025D9D885370, 16 bytes long.
 Data: <8B  ]           > 38 42 88 9D 5D 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000025D9D881CC0, 16 bytes long.
 Data: < B  ]           > 10 42 88 9D 5D 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000025D9D87EE30, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x0000025D9D881C20, 16 bytes long.
 Data: <x&#228;&#135; ]           > 78 E4 87 9D 5D 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000025D9D87C8B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x0000025D9D881B30, 16 bytes long.
 Data: <P&#228;&#135; ]           > 50 E4 87 9D 5D 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000025D9D881AE0, 16 bytes long.
 Data: <(&#228;&#135; ]           > 28 E4 87 9D 5D 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000025D9D881900, 16 bytes long.
 Data: < &#228;&#135; ]           > 00 E4 87 9D 5D 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000025D9D881A40, 16 bytes long.
 Data: <&#216;&#227;&#135; ]           > D8 E3 87 9D 5D 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000025D9D8818B0, 16 bytes long.
 Data: <&#176;&#227;&#135; ]           > B0 E3 87 9D 5D 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000025D9D881400, 16 bytes long.
 Data: < &#227;&#135; ]           > 88 E3 87 9D 5D 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000025D9D87C850, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x0000025D9D881810, 16 bytes long.
 Data: <`&#227;&#135; ]           > 60 E3 87 9D 5D 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000025D9D87E360, 320 bytes long.
 Data: <    ]   P&#200;&#135; ]   > 10 18 88 9D 5D 02 00 00 50 C8 87 9D 5D 02 00 00 
{281} normal block at 0x0000025D9D881270, 16 bytes long.
 Data: <&#240;A  ]           > F0 41 88 9D 5D 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000025D9D8817C0, 16 bytes long.
 Data: <&#200;A  ]           > C8 41 88 9D 5D 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000025D9D87C970, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x0000025D9D881180, 16 bytes long.
 Data: <&#160;A  ]           > A0 41 88 9D 5D 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000025D9D87CC10, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x0000025D9D881B80, 16 bytes long.
 Data: <&#232;@  ]           > E8 40 88 9D 5D 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000025D9D880F50, 16 bytes long.
 Data: <&#192;@  ]           > C0 40 88 9D 5D 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000025D9D881720, 16 bytes long.
 Data: < @  ]           > 98 40 88 9D 5D 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000025D9D881630, 16 bytes long.
 Data: <p@  ]           > 70 40 88 9D 5D 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000025D9D881860, 16 bytes long.
 Data: <H@  ]           > 48 40 88 9D 5D 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000025D9D881540, 16 bytes long.
 Data: < @  ]           > 20 40 88 9D 5D 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000025D9D881A90, 16 bytes long.
 Data: <&#160;&#245;&#135; ]           > A0 F5 87 9D 5D 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000025D9D87F5A0, 40 bytes long.
 Data: <    ]   @ &#135; ]   > 90 1A 88 9D 5D 02 00 00 40 8F 87 9D 5D 02 00 00 
{267} normal block at 0x0000025D9D8819F0, 16 bytes long.
 Data: < @  ]           > 00 40 88 9D 5D 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000025D9D8812C0, 16 bytes long.
 Data: <&#216;?  ]           > D8 3F 88 9D 5D 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000025D9D87C7F0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x0000025D9D881450, 16 bytes long.
 Data: <&#176;?  ]           > B0 3F 88 9D 5D 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000025D9D883FB0, 992 bytes long.
 Data: <P   ]   &#240;&#199;&#135; ]   > 50 14 88 9D 5D 02 00 00 F0 C7 87 9D 5D 02 00 00 
{99} normal block at 0x0000025D9D87D1B0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x0000025D9D881680, 16 bytes long.
 Data: <&#224;&#236;&#135; ]           > E0 EC 87 9D 5D 02 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x0000025D9D87ECE0, 40 bytes long.
 Data: <    ]   &#176;&#209;&#135; ]   > 80 16 88 9D 5D 02 00 00 B0 D1 87 9D 5D 02 00 00 
{76} normal block at 0x0000025D9D8816D0, 16 bytes long.
 Data: < &#234;&#234;k&#246;           > 80 EA EA 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x0000025D9D8815E0, 16 bytes long.
 Data: <@&#233;&#234;k&#246;           > 40 E9 EA 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000025D9D881BD0, 16 bytes long.
 Data: <&#248;W&#231;k&#246;           > F8 57 E7 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000025D9D880EB0, 16 bytes long.
 Data: <&#216;W&#231;k&#246;           > D8 57 E7 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000025D9D881090, 16 bytes long.
 Data: <P &#231;k&#246;           > 50 04 E7 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000025D9D8814A0, 16 bytes long.
 Data: <0 &#231;k&#246;           > 30 04 E7 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000025D9D880F00, 16 bytes long.
 Data: <&#224; &#231;k&#246;           > E0 02 E7 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000025D9D881590, 16 bytes long.
 Data: <  &#231;k&#246;           > 10 04 E7 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000025D9D881770, 16 bytes long.
 Data: <p &#231;k&#246;           > 70 04 E7 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000025D9D880E60, 16 bytes long.
 Data: < &#192;&#229;k&#246;           > 18 C0 E5 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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