Task 38679126

Name test_99-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND0292_0
Workunit 31620917
Created 26 Oct 2026, 19:33:04 UTC
Sent 26 Oct 2026, 19:33:09 UTC
Report deadline 31 Oct 2026, 19:33:09 UTC
Received 26 Oct 2026, 20:19:18 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652544
Run time 45 min 47 sec
CPU time 43 min 5 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 17,076.26 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 717.46 MB
Peak swap size 12.92 GB
Peak disk usage 3.66 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:34:50 (26380): wrapper (7.9.26016): starting
20:34:50 (26380): 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
20:34:52 (26380): Library/usr/bin/tar.exe exited; CPU time 0.031250
20:34:52 (26380): 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\5\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\5\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
21:18:17 (26380): C:/Windows/system32/cmd.exe exited; CPU time 2585.218750
21:18:17 (26380): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 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: 68317035 bytes.
Dumping objects ->
{3835258} normal block at 0x000001F4C6E10BC0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835247} normal block at 0x000001F4C6E10B50, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835236} normal block at 0x000001F4C6E10D80, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835225} normal block at 0x000001F4C6E11640, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835214} normal block at 0x000001F4C6E10AE0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835183} normal block at 0x000001F4C6EBB5A0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835172} normal block at 0x000001F4C6FD3480, 141 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) : {3835169} normal block at 0x000001F4C52A53F0, 8 bytes long.
 Data: <  '&#197;&#244;   > 00 00 27 C5 F4 01 00 00 
{3834553} normal block at 0x000001F4C6FD3620, 141 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833947} normal block at 0x000001F4C52A6250, 8 bytes long.
 Data: <@&#169;)&#197;&#244;   > 40 A9 29 C5 F4 01 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x000001F4C52B0BC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001F4C529B5C0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x000001F4C52B21A0, 16 bytes long.
 Data: <&#232;.+&#197;&#244;           > E8 2E 2B C5 F4 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001F4C52B1E30, 16 bytes long.
 Data: <&#192;.+&#197;&#244;           > C0 2E 2B C5 F4 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001F4C52AB900, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x000001F4C52B1E80, 16 bytes long.
 Data: < .+&#197;&#244;           > 98 2E 2B C5 F4 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001F4C52B1DE0, 16 bytes long.
 Data: <p.+&#197;&#244;           > 70 2E 2B C5 F4 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001F4C52B26F0, 16 bytes long.
 Data: <H.+&#197;&#244;           > 48 2E 2B C5 F4 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001F4C52B2A10, 16 bytes long.
 Data: < .+&#197;&#244;           > 20 2E 2B C5 F4 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001F4C52AA750, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x000001F4C52B22E0, 16 bytes long.
 Data: <&#184;&#178;)&#197;&#244;           > B8 B2 29 C5 F4 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001F4C52AC260, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x000001F4C52B2830, 16 bytes long.
 Data: < &#178;)&#197;&#244;           > 90 B2 29 C5 F4 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001F4C52B1FC0, 16 bytes long.
 Data: <h&#178;)&#197;&#244;           > 68 B2 29 C5 F4 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001F4C52B1F70, 16 bytes long.
 Data: <@&#178;)&#197;&#244;           > 40 B2 29 C5 F4 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001F4C52B2150, 16 bytes long.
 Data: < &#178;)&#197;&#244;           > 18 B2 29 C5 F4 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001F4C52B26A0, 16 bytes long.
 Data: <&#240;&#177;)&#197;&#244;           > F0 B1 29 C5 F4 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001F4C52B24C0, 16 bytes long.
 Data: <&#200;&#177;)&#197;&#244;           > C8 B1 29 C5 F4 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001F4C52AB840, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x000001F4C52B1CA0, 16 bytes long.
 Data: <&#160;&#177;)&#197;&#244;           > A0 B1 29 C5 F4 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001F4C529B1A0, 320 bytes long.
 Data: <&#160; +&#197;&#244;   @&#184;*&#197;&#244;   > A0 1C 2B C5 F4 01 00 00 40 B8 2A C5 F4 01 00 00 
{269} normal block at 0x000001F4C52B29C0, 16 bytes long.
 Data: < .+&#197;&#244;           > 00 2E 2B C5 F4 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001F4C52B1D40, 16 bytes long.
 Data: <&#216;-+&#197;&#244;           > D8 2D 2B C5 F4 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001F4C52AC140, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x000001F4C52B25B0, 16 bytes long.
 Data: <&#176;-+&#197;&#244;           > B0 2D 2B C5 F4 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001F4C52ABBA0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x000001F4C52B2AB0, 16 bytes long.
 Data: <&#248;,+&#197;&#244;           > F8 2C 2B C5 F4 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001F4C52B2970, 16 bytes long.
 Data: <&#208;,+&#197;&#244;           > D0 2C 2B C5 F4 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001F4C52B1F20, 16 bytes long.
 Data: <&#168;,+&#197;&#244;           > A8 2C 2B C5 F4 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001F4C52B2100, 16 bytes long.
 Data: < ,+&#197;&#244;           > 80 2C 2B C5 F4 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001F4C52B2650, 16 bytes long.
 Data: <X,+&#197;&#244;           > 58 2C 2B C5 F4 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001F4C52B2B00, 16 bytes long.
 Data: <0,+&#197;&#244;           > 30 2C 2B C5 F4 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001F4C52B1C50, 16 bytes long.
 Data: < &#162;*&#197;&#244;           > 80 A2 2A C5 F4 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001F4C52AA280, 40 bytes long.
 Data: <P +&#197;&#244;   &#160;&#181;&#235;&#198;&#244;   > 50 1C 2B C5 F4 01 00 00 A0 B5 EB C6 F4 01 00 00 
{255} normal block at 0x000001F4C52B28D0, 16 bytes long.
 Data: < ,+&#197;&#244;           > 10 2C 2B C5 F4 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001F4C52B2380, 16 bytes long.
 Data: <&#232;++&#197;&#244;           > E8 2B 2B C5 F4 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001F4C52AC1A0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x000001F4C52B2A60, 16 bytes long.
 Data: <&#192;++&#197;&#244;           > C0 2B 2B C5 F4 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000001F4C52B2BC0, 992 bytes long.
 Data: <`*+&#197;&#244;   &#160;&#193;*&#197;&#244;   > 60 2A 2B C5 F4 01 00 00 A0 C1 2A C5 F4 01 00 00 
{87} normal block at 0x000001F4C52AB8A0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x000001F4C52A60C0, 16 bytes long.
 Data: <`&#163;*&#197;&#244;           > 60 A3 2A C5 F4 01 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x000001F4C52AA360, 40 bytes long.
 Data: <&#192;`*&#197;&#244;   &#160;&#184;*&#197;&#244;   > C0 60 2A C5 F4 01 00 00 A0 B8 2A C5 F4 01 00 00 
{64} normal block at 0x000001F4C52A6070, 16 bytes long.
 Data: < &#234; &#202;&#246;           > 80 EA 90 CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001F4C52A5AD0, 16 bytes long.
 Data: <@&#233; &#202;&#246;           > 40 E9 90 CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001F4C52A5490, 16 bytes long.
 Data: <&#248;W &#202;&#246;           > F8 57 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001F4C52A5A80, 16 bytes long.
 Data: <&#216;W &#202;&#246;           > D8 57 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001F4C52A5620, 16 bytes long.
 Data: <P  &#202;&#246;           > 50 04 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001F4C52A5800, 16 bytes long.
 Data: <0  &#202;&#246;           > 30 04 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001F4C52A5710, 16 bytes long.
 Data: <&#224;  &#202;&#246;           > E0 02 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001F4C52A58F0, 16 bytes long.
 Data: <   &#202;&#246;           > 10 04 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001F4C52A6200, 16 bytes long.
 Data: <p  &#202;&#246;           > 70 04 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001F4C52A62A0, 16 bytes long.
 Data: < &#192;&#139;&#202;&#246;           > 18 C0 8B CA F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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