Task 38664468

Name test_155-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND4268_0
Workunit 31607617
Created 24 Oct 2026, 23:40:12 UTC
Sent 24 Oct 2026, 23:40:17 UTC
Report deadline 29 Oct 2026, 23:40:17 UTC
Received 25 Oct 2026, 3:34:49 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652843
Run time 3 hours 47 min 31 sec
CPU time 3 hours 47 min 31 sec
Validate state Valid
Credit 600,000.00
Device peak FLOPS 22,198.82 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 753.47 MB
Peak swap size 12.93 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:50:52 (27056): wrapper (7.9.26016): starting
18:50:52 (27056): 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
18:50:53 (27056): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:50:53 (27056): 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
22:34:32 (27056): C:/Windows/system32/cmd.exe exited; CPU time 13651.000000
22:34:32 (27056): 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: 209897641 bytes.
Dumping objects ->
{3835550} normal block at 0x000001EC21E55E30, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835539} normal block at 0x000001EC21E56140, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835528} normal block at 0x000001EC21E55EA0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835517} normal block at 0x000001EC21E55B20, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835506} normal block at 0x000001EC21E55C70, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835475} normal block at 0x000001EC23B55930, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835464} normal block at 0x000001EC23B6EB00, 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) : {3835461} normal block at 0x000001EC21E4ED50, 8 bytes long.
 Data: <  ""&#236;   > 00 00 22 22 EC 01 00 00 
{3834683} normal block at 0x000001EC23B6E4D0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x000001EC21E4EA80, 8 bytes long.
 Data: < ?&#190;#&#236;   > 80 3F BE 23 EC 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001EC21E50790, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001EC21E3FB30, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x000001EC21E54830, 16 bytes long.
 Data: <&#216;Y&#229;!&#236;           > D8 59 E5 21 EC 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001EC21E54C90, 16 bytes long.
 Data: <&#176;Y&#229;!&#236;           > B0 59 E5 21 EC 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001EC21E4EF50, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x000001EC21E551E0, 16 bytes long.
 Data: < Y&#229;!&#236;           > 88 59 E5 21 EC 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001EC21E55500, 16 bytes long.
 Data: <`Y&#229;!&#236;           > 60 59 E5 21 EC 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001EC21E54790, 16 bytes long.
 Data: <8Y&#229;!&#236;           > 38 59 E5 21 EC 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001EC21E54DD0, 16 bytes long.
 Data: < Y&#229;!&#236;           > 10 59 E5 21 EC 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001EC21E55C00, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x000001EC21E55320, 16 bytes long.
 Data: < &#180;&#227;!&#236;           > 98 B4 E3 21 EC 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001EC21E4F610, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x000001EC21E550A0, 16 bytes long.
 Data: <p&#180;&#227;!&#236;           > 70 B4 E3 21 EC 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001EC21E554B0, 16 bytes long.
 Data: <H&#180;&#227;!&#236;           > 48 B4 E3 21 EC 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001EC21E548D0, 16 bytes long.
 Data: < &#180;&#227;!&#236;           > 20 B4 E3 21 EC 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001EC21E546F0, 16 bytes long.
 Data: <&#248;&#179;&#227;!&#236;           > F8 B3 E3 21 EC 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001EC21E54CE0, 16 bytes long.
 Data: <&#208;&#179;&#227;!&#236;           > D0 B3 E3 21 EC 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001EC21E54BA0, 16 bytes long.
 Data: <&#168;&#179;&#227;!&#236;           > A8 B3 E3 21 EC 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001EC21E4F1F0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x000001EC21E55460, 16 bytes long.
 Data: < &#179;&#227;!&#236;           > 80 B3 E3 21 EC 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001EC21E3B380, 320 bytes long.
 Data: <`T&#229;!&#236;   &#240;&#241;&#228;!&#236;   > 60 54 E5 21 EC 01 00 00 F0 F1 E4 21 EC 01 00 00 
{273} normal block at 0x000001EC21E55140, 16 bytes long.
 Data: <&#240;X&#229;!&#236;           > F0 58 E5 21 EC 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001EC21E54740, 16 bytes long.
 Data: <&#200;X&#229;!&#236;           > C8 58 E5 21 EC 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001EC21E4F130, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x000001EC21E54B50, 16 bytes long.
 Data: <&#160;X&#229;!&#236;           > A0 58 E5 21 EC 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001EC21E4F8B0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x000001EC21E55050, 16 bytes long.
 Data: <&#232;W&#229;!&#236;           > E8 57 E5 21 EC 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001EC21E54F60, 16 bytes long.
 Data: <&#192;W&#229;!&#236;           > C0 57 E5 21 EC 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001EC21E55280, 16 bytes long.
 Data: < W&#229;!&#236;           > 98 57 E5 21 EC 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001EC21E55640, 16 bytes long.
 Data: <pW&#229;!&#236;           > 70 57 E5 21 EC 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001EC21E55190, 16 bytes long.
 Data: <HW&#229;!&#236;           > 48 57 E5 21 EC 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001EC21E55410, 16 bytes long.
 Data: < W&#229;!&#236;           > 20 57 E5 21 EC 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001EC21E54C40, 16 bytes long.
 Data: < &#227;&#227;!&#236;           > 20 E3 E3 21 EC 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001EC21E3E320, 40 bytes long.
 Data: <@L&#229;!&#236;   0Y&#181;#&#236;   > 40 4C E5 21 EC 01 00 00 30 59 B5 23 EC 01 00 00 
{259} normal block at 0x000001EC21E552D0, 16 bytes long.
 Data: < W&#229;!&#236;           > 00 57 E5 21 EC 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001EC21E555F0, 16 bytes long.
 Data: <&#216;V&#229;!&#236;           > D8 56 E5 21 EC 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001EC21E4FD90, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x000001EC21E55000, 16 bytes long.
 Data: <&#176;V&#229;!&#236;           > B0 56 E5 21 EC 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001EC21E556B0, 992 bytes long.
 Data: < P&#229;!&#236;    &#253;&#228;!&#236;   > 00 50 E5 21 EC 01 00 00 90 FD E4 21 EC 01 00 00 
{91} normal block at 0x000001EC21E4F250, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x000001EC21E4E9E0, 16 bytes long.
 Data: <0&#220;&#227;!&#236;           > 30 DC E3 21 EC 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000001EC21E3DC30, 40 bytes long.
 Data: <&#224;&#233;&#228;!&#236;   P&#242;&#228;!&#236;   > E0 E9 E4 21 EC 01 00 00 50 F2 E4 21 EC 01 00 00 
{68} normal block at 0x000001EC21E4E4E0, 16 bytes long.
 Data: < &#234;2&#181;&#246;           > 80 EA 32 B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001EC21E4EB70, 16 bytes long.
 Data: <@&#233;2&#181;&#246;           > 40 E9 32 B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001EC21E4EDA0, 16 bytes long.
 Data: <&#248;W/&#181;&#246;           > F8 57 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001EC21E4E260, 16 bytes long.
 Data: <&#216;W/&#181;&#246;           > D8 57 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001EC21E4ED00, 16 bytes long.
 Data: <P /&#181;&#246;           > 50 04 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001EC21E4ECB0, 16 bytes long.
 Data: <0 /&#181;&#246;           > 30 04 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001EC21E4E3F0, 16 bytes long.
 Data: <&#224; /&#181;&#246;           > E0 02 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001EC21E4E1C0, 16 bytes long.
 Data: <  /&#181;&#246;           > 10 04 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001EC21E4EBC0, 16 bytes long.
 Data: <p /&#181;&#246;           > 70 04 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001EC21E4E7B0, 16 bytes long.
 Data: < &#192;-&#181;&#246;           > 18 C0 2D B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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