Task 38670414

Name test_98-GPUGRID_TEST_ATM_40STEP_20261023-9-40-RND2255_0
Workunit 31612666
Created 25 Oct 2026, 17:27:01 UTC
Sent 25 Oct 2026, 17:27:07 UTC
Report deadline 30 Oct 2026, 17:27:07 UTC
Received 26 Oct 2026, 0:12:10 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 557886
Run time 3 hours 7 min 15 sec
CPU time 2 hours 53 min 27 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,377.36 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 657.84 MB
Peak swap size 3.71 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>7.20.2</core_client_version>
<![CDATA[
<stderr_txt>
22:06:58 (11100): wrapper (7.9.26016): starting
22:06:58 (11100): 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
22:07:01 (11100): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:07:01 (11100): 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
01:11:24 (11100): C:/Windows/system32/cmd.exe exited; CPU time 10407.390625
01:11:24 (11100): 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: 112155739 bytes.
Dumping objects ->
{3835663} normal block at 0x0000027C0AB510B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835652} normal block at 0x0000027C0AB514A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835641} normal block at 0x0000027C0AB50EF0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835630} normal block at 0x0000027C0AB51510, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835619} normal block at 0x0000027C0AB50940, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835588} normal block at 0x0000027C0AC75D90, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835577} normal block at 0x0000027C0AC8D180, 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) : {3835574} normal block at 0x0000027C09107360, 8 bytes long.
 Data: <   	|   > 00 00 0E 09 7C 02 00 00 
{3834732} normal block at 0x0000027C0AC8DC80, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833953} normal block at 0x0000027C091071D0, 8 bytes long.
 Data: <  &#205; |   > 90 1D CD 0A 7C 02 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000027C09111650, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000027C090FB100, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x0000027C09112EB0, 16 bytes long.
 Data: <&#248;8 	|           > F8 38 11 09 7C 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000027C09112E60, 16 bytes long.
 Data: <&#208;8 	|           > D0 38 11 09 7C 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000027C0910D020, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x0000027C09112820, 16 bytes long.
 Data: <&#168;8 	|           > A8 38 11 09 7C 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000027C09112E10, 16 bytes long.
 Data: < 8 	|           > 80 38 11 09 7C 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000027C09112DC0, 16 bytes long.
 Data: <X8 	|           > 58 38 11 09 7C 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000027C091127D0, 16 bytes long.
 Data: <08 	|           > 30 38 11 09 7C 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000027C0910B440, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x0000027C09113090, 16 bytes long.
 Data: <&#216;] 	|           > D8 5D 0F 09 7C 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000027C0910D320, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x0000027C09112D70, 16 bytes long.
 Data: <&#176;] 	|           > B0 5D 0F 09 7C 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000027C09112730, 16 bytes long.
 Data: < ] 	|           > 88 5D 0F 09 7C 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000027C091126E0, 16 bytes long.
 Data: <`] 	|           > 60 5D 0F 09 7C 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000027C09112640, 16 bytes long.
 Data: <8] 	|           > 38 5D 0F 09 7C 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000027C09112AA0, 16 bytes long.
 Data: < ] 	|           > 10 5D 0F 09 7C 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000027C091131D0, 16 bytes long.
 Data: <&#232;\ 	|           > E8 5C 0F 09 7C 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000027C0910CFC0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x0000027C09112F00, 16 bytes long.
 Data: <&#192;\ 	|           > C0 5C 0F 09 7C 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000027C090F5CC0, 320 bytes long.
 Data: < / 	|   &#192;&#207; 	|   > 00 2F 11 09 7C 02 00 00 C0 CF 10 09 7C 02 00 00 
{272} normal block at 0x0000027C09112C80, 16 bytes long.
 Data: < 8 	|           > 10 38 11 09 7C 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000027C09112AF0, 16 bytes long.
 Data: <&#232;7 	|           > E8 37 11 09 7C 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000027C0910D0E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x0000027C091133B0, 16 bytes long.
 Data: <&#192;7 	|           > C0 37 11 09 7C 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000027C0910CE40, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x0000027C09112C30, 16 bytes long.
 Data: < 7 	|           > 08 37 11 09 7C 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000027C091125F0, 16 bytes long.
 Data: <&#224;6 	|           > E0 36 11 09 7C 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000027C09112A00, 16 bytes long.
 Data: <&#184;6 	|           > B8 36 11 09 7C 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000027C09112870, 16 bytes long.
 Data: < 6 	|           > 90 36 11 09 7C 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000027C09112A50, 16 bytes long.
 Data: <h6 	|           > 68 36 11 09 7C 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000027C09112FF0, 16 bytes long.
 Data: <@6 	|           > 40 36 11 09 7C 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000027C09112B90, 16 bytes long.
 Data: <&#192;&#183; 	|           > C0 B7 10 09 7C 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000027C0910B7C0, 40 bytes long.
 Data: < + 	|    ]&#199; |   > 90 2B 11 09 7C 02 00 00 90 5D C7 0A 7C 02 00 00 
{258} normal block at 0x0000027C091125A0, 16 bytes long.
 Data: < 6 	|           > 20 36 11 09 7C 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000027C09112960, 16 bytes long.
 Data: <&#248;5 	|           > F8 35 11 09 7C 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000027C0910CC00, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x0000027C09112B40, 16 bytes long.
 Data: <&#208;5 	|           > D0 35 11 09 7C 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000027C091135D0, 992 bytes long.
 Data: <@+ 	|    &#204; 	|   > 40 2B 11 09 7C 02 00 00 00 CC 10 09 7C 02 00 00 
{90} normal block at 0x0000027C0910CEA0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x0000027C09106A00, 16 bytes long.
 Data: <p&#182; 	|           > 70 B6 10 09 7C 02 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x0000027C0910B670, 40 bytes long.
 Data: < j 	|   &#160;&#206; 	|   > 00 6A 10 09 7C 02 00 00 A0 CE 10 09 7C 02 00 00 
{67} normal block at 0x0000027C09106C80, 16 bytes long.
 Data: < &#234;@&#230;&#247;           > 80 EA 40 E6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000027C09107180, 16 bytes long.
 Data: <@&#233;@&#230;&#247;           > 40 E9 40 E6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000027C091073B0, 16 bytes long.
 Data: <&#248;W=&#230;&#247;           > F8 57 3D E6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000027C091069B0, 16 bytes long.
 Data: <&#216;W=&#230;&#247;           > D8 57 3D E6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000027C09107040, 16 bytes long.
 Data: <P =&#230;&#247;           > 50 04 3D E6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000027C09106960, 16 bytes long.
 Data: <0 =&#230;&#247;           > 30 04 3D E6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000027C09106FF0, 16 bytes long.
 Data: <&#224; =&#230;&#247;           > E0 02 3D E6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000027C09106C30, 16 bytes long.
 Data: <  =&#230;&#247;           > 10 04 3D E6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000027C091074F0, 16 bytes long.
 Data: <p =&#230;&#247;           > 70 04 3D E6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000027C091074A0, 16 bytes long.
 Data: < &#192;;&#230;&#247;           > 18 C0 3B E6 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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