Task 38687021

Name test_488-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND2406_0
Workunit 31628427
Created 28 Oct 2026, 5:34:26 UTC
Sent 28 Oct 2026, 5:34:27 UTC
Report deadline 2 Nov 2026, 5:34:27 UTC
Received 28 Oct 2026, 6:20:54 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 496592
Run time 44 min 28 sec
CPU time 42 min 39 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,334.82 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 670.40 MB
Peak swap size 3.75 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
06:36:07 (17772): wrapper (7.9.26016): starting
06:36:07 (17772): 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
06:36:08 (17772): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:36:08 (17772): 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
07:19:52 (17772): C:/Windows/system32/cmd.exe exited; CPU time 2559.421875
07:19:52 (17772): 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: 36458819 bytes.
Dumping objects ->
{3835361} normal block at 0x00000282375F0840, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835350} normal block at 0x00000282375F1090, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835339} normal block at 0x00000282375F07D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835328} normal block at 0x00000282375F16B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835317} normal block at 0x00000282375F0920, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835286} normal block at 0x00000282376E7100, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835275} normal block at 0x0000028235BDE430, 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) : {3835272} normal block at 0x0000028235B87910, 8 bytes long.
 Data: <  &#181;5&#130;   > 00 00 B5 35 82 02 00 00 
{3834603} normal block at 0x0000028235BDEC50, 141 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833951} normal block at 0x0000028235B87370, 8 bytes long.
 Data: <@&#158;o7&#130;   > 40 9E 6F 37 82 02 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000028235B92E00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000028235B76020, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x0000028235B94660, 16 bytes long.
 Data: <&#168;P&#185;5&#130;           > A8 50 B9 35 82 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000028235B94390, 16 bytes long.
 Data: < P&#185;5&#130;           > 80 50 B9 35 82 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000028235B8C5B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x0000028235B93CB0, 16 bytes long.
 Data: <XP&#185;5&#130;           > 58 50 B9 35 82 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000028235B93C10, 16 bytes long.
 Data: <0P&#185;5&#130;           > 30 50 B9 35 82 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000028235B94B10, 16 bytes long.
 Data: < P&#185;5&#130;           > 08 50 B9 35 82 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000028235B93E40, 16 bytes long.
 Data: <&#224;O&#185;5&#130;           > E0 4F B9 35 82 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000028235B8D7A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x0000028235B94A70, 16 bytes long.
 Data: <&#184;_&#183;5&#130;           > B8 5F B7 35 82 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000028235B8C430, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x0000028235B94160, 16 bytes long.
 Data: < _&#183;5&#130;           > 90 5F B7 35 82 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000028235B945C0, 16 bytes long.
 Data: <h_&#183;5&#130;           > 68 5F B7 35 82 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000028235B94700, 16 bytes long.
 Data: <@_&#183;5&#130;           > 40 5F B7 35 82 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000028235B94520, 16 bytes long.
 Data: < _&#183;5&#130;           > 18 5F B7 35 82 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000028235B94890, 16 bytes long.
 Data: <&#240;^&#183;5&#130;           > F0 5E B7 35 82 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000028235B94250, 16 bytes long.
 Data: <&#200;^&#183;5&#130;           > C8 5E B7 35 82 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000028235B8C130, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x0000028235B93DA0, 16 bytes long.
 Data: <&#160;^&#183;5&#130;           > A0 5E B7 35 82 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000028235B75EA0, 320 bytes long.
 Data: <&#160;=&#185;5&#130;   0&#193;&#184;5&#130;   > A0 3D B9 35 82 02 00 00 30 C1 B8 35 82 02 00 00 
{271} normal block at 0x0000028235B94930, 16 bytes long.
 Data: <&#192;O&#185;5&#130;           > C0 4F B9 35 82 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000028235B946B0, 16 bytes long.
 Data: < O&#185;5&#130;           > 98 4F B9 35 82 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000028235B8BF50, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x0000028235B94110, 16 bytes long.
 Data: <pO&#185;5&#130;           > 70 4F B9 35 82 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000028235B8C0D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x0000028235B93E90, 16 bytes long.
 Data: <&#184;N&#185;5&#130;           > B8 4E B9 35 82 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000028235B94430, 16 bytes long.
 Data: < N&#185;5&#130;           > 90 4E B9 35 82 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000028235B94A20, 16 bytes long.
 Data: <hN&#185;5&#130;           > 68 4E B9 35 82 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000028235B94340, 16 bytes long.
 Data: <@N&#185;5&#130;           > 40 4E B9 35 82 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000028235B93DF0, 16 bytes long.
 Data: < N&#185;5&#130;           > 18 4E B9 35 82 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000028235B948E0, 16 bytes long.
 Data: <&#240;M&#185;5&#130;           > F0 4D B9 35 82 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000028235B94980, 16 bytes long.
 Data: <&#208;&#217;&#184;5&#130;           > D0 D9 B8 35 82 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000028235B8D9D0, 40 bytes long.
 Data: < I&#185;5&#130;    qn7&#130;   > 80 49 B9 35 82 02 00 00 00 71 6E 37 82 02 00 00 
{257} normal block at 0x0000028235B942F0, 16 bytes long.
 Data: <&#208;M&#185;5&#130;           > D0 4D B9 35 82 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000028235B93D00, 16 bytes long.
 Data: <&#168;M&#185;5&#130;           > A8 4D B9 35 82 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000028235B8C070, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x0000028235B93D50, 16 bytes long.
 Data: < M&#185;5&#130;           > 80 4D B9 35 82 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000028235B94D80, 992 bytes long.
 Data: <P=&#185;5&#130;   p&#192;&#184;5&#130;   > 50 3D B9 35 82 02 00 00 70 C0 B8 35 82 02 00 00 
{89} normal block at 0x0000028235B8C310, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x0000028235B877D0, 16 bytes long.
 Data: <0&#215;&#184;5&#130;           > 30 D7 B8 35 82 02 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x0000028235B8D730, 40 bytes long.
 Data: <&#208;w&#184;5&#130;    &#195;&#184;5&#130;   > D0 77 B8 35 82 02 00 00 10 C3 B8 35 82 02 00 00 
{66} normal block at 0x0000028235B86D30, 16 bytes long.
 Data: < &#234;&&#183;&#246;           > 80 EA 26 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000028235B86CE0, 16 bytes long.
 Data: <@&#233;&&#183;&#246;           > 40 E9 26 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000028235B86C40, 16 bytes long.
 Data: <&#248;W#&#183;&#246;           > F8 57 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000028235B86E70, 16 bytes long.
 Data: <&#216;W#&#183;&#246;           > D8 57 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000028235B87730, 16 bytes long.
 Data: <P #&#183;&#246;           > 50 04 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000028235B86BF0, 16 bytes long.
 Data: <0 #&#183;&#246;           > 30 04 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000028235B86E20, 16 bytes long.
 Data: <&#224; #&#183;&#246;           > E0 02 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000028235B87410, 16 bytes long.
 Data: <  #&#183;&#246;           > 10 04 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000028235B876E0, 16 bytes long.
 Data: <p #&#183;&#246;           > 70 04 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000028235B86B50, 16 bytes long.
 Data: < &#192;!&#183;&#246;           > 18 C0 21 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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