Task 38675028

Name test_560-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND3916_0
Workunit 31617026
Created 26 Oct 2026, 7:02:36 UTC
Sent 26 Oct 2026, 7:02:42 UTC
Report deadline 31 Oct 2026, 7:02:42 UTC
Received 26 Oct 2026, 12:57:09 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 628937
Run time 29 min 57 sec
CPU time 27 min 14 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,738.02 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 732.32 MB
Peak swap size 6.89 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
12:27:34 (19452): wrapper (7.9.26016): starting
12:27:34 (19452): 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
12:27:35 (19452): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:27:35 (19452): 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\12\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\12\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
12:56:25 (19452): C:/Windows/system32/cmd.exe exited; CPU time 1634.859375
12:56:25 (19452): 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: 26928689 bytes.
Dumping objects ->
{3835306} normal block at 0x00000229A3A5DCA0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835295} normal block at 0x00000229A1DC4EA0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835284} normal block at 0x00000229A1DC5450, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835273} normal block at 0x00000229A1DC4DC0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835262} normal block at 0x00000229A1DC5220, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835231} normal block at 0x00000229A3AA8170, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835220} normal block at 0x00000229A3ABF530, 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) : {3835217} normal block at 0x00000229A1DBFAE0, 8 bytes long.
 Data: <  &#212;&#161;)   > 00 00 D4 A1 29 02 00 00 
{3834571} normal block at 0x00000229A3ABEDA0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x00000229A1DC0800, 8 bytes long.
 Data: <&#208;&#234;&#233;&#161;)   > D0 EA E9 A1 29 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000229A1DC14E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000229A1DB6790, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x00000229A1DC6580, 16 bytes long.
 Data: < k&#220;&#161;)           > 98 6B DC A1 29 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000229A1DC6760, 16 bytes long.
 Data: <pk&#220;&#161;)           > 70 6B DC A1 29 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000229A1DBF200, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x00000229A1DC6530, 16 bytes long.
 Data: <Hk&#220;&#161;)           > 48 6B DC A1 29 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000229A1DC5BD0, 16 bytes long.
 Data: < k&#220;&#161;)           > 20 6B DC A1 29 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000229A1DC5E50, 16 bytes long.
 Data: <&#248;j&#220;&#161;)           > F8 6A DC A1 29 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000229A1DC58B0, 16 bytes long.
 Data: <&#208;j&#220;&#161;)           > D0 6A DC A1 29 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000229A1DC5140, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x00000229A1DC62B0, 16 bytes long.
 Data: <h&#181;&#218;&#161;)           > 68 B5 DA A1 29 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000229A1DBEFC0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x00000229A1DC5EF0, 16 bytes long.
 Data: <@&#181;&#218;&#161;)           > 40 B5 DA A1 29 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000229A1DC5A90, 16 bytes long.
 Data: < &#181;&#218;&#161;)           > 18 B5 DA A1 29 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000229A1DC5CC0, 16 bytes long.
 Data: <&#240;&#180;&#218;&#161;)           > F0 B4 DA A1 29 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000229A1DC5900, 16 bytes long.
 Data: <&#200;&#180;&#218;&#161;)           > C8 B4 DA A1 29 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000229A1DC5B80, 16 bytes long.
 Data: <&#160;&#180;&#218;&#161;)           > A0 B4 DA A1 29 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000229A1DC5AE0, 16 bytes long.
 Data: <x&#180;&#218;&#161;)           > 78 B4 DA A1 29 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000229A1DBF920, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x00000229A1DC6120, 16 bytes long.
 Data: <P&#180;&#218;&#161;)           > 50 B4 DA A1 29 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000229A1DAB450, 320 bytes long.
 Data: < a&#220;&#161;)    &#249;&#219;&#161;)   > 20 61 DC A1 29 02 00 00 20 F9 DB A1 29 02 00 00 
{274} normal block at 0x00000229A1DC6490, 16 bytes long.
 Data: <&#176;j&#220;&#161;)           > B0 6A DC A1 29 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000229A1DC5A40, 16 bytes long.
 Data: < j&#220;&#161;)           > 88 6A DC A1 29 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000229A1DBECC0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x00000229A1DC64E0, 16 bytes long.
 Data: <`j&#220;&#161;)           > 60 6A DC A1 29 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000229A1DBF1A0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x00000229A1DC5B30, 16 bytes long.
 Data: <&#168;i&#220;&#161;)           > A8 69 DC A1 29 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000229A1DC5D60, 16 bytes long.
 Data: < i&#220;&#161;)           > 80 69 DC A1 29 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000229A1DC5FE0, 16 bytes long.
 Data: <Xi&#220;&#161;)           > 58 69 DC A1 29 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000229A1DC6670, 16 bytes long.
 Data: <0i&#220;&#161;)           > 30 69 DC A1 29 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000229A1DC6300, 16 bytes long.
 Data: < i&#220;&#161;)           > 08 69 DC A1 29 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000229A1DC63F0, 16 bytes long.
 Data: <&#224;h&#220;&#161;)           > E0 68 DC A1 29 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000229A1DC6440, 16 bytes long.
 Data: <&#192;T&#220;&#161;)           > C0 54 DC A1 29 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000229A1DC54C0, 40 bytes long.
 Data: <@d&#220;&#161;)   p &#170;&#163;)   > 40 64 DC A1 29 02 00 00 70 81 AA A3 29 02 00 00 
{260} normal block at 0x00000229A1DC6080, 16 bytes long.
 Data: <&#192;h&#220;&#161;)           > C0 68 DC A1 29 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000229A1DC5EA0, 16 bytes long.
 Data: < h&#220;&#161;)           > 98 68 DC A1 29 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000229A1DBEB40, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x00000229A1DC5950, 16 bytes long.
 Data: <ph&#220;&#161;)           > 70 68 DC A1 29 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000229A1DC6870, 992 bytes long.
 Data: <PY&#220;&#161;)   @&#235;&#219;&#161;)   > 50 59 DC A1 29 02 00 00 40 EB DB A1 29 02 00 00 
{92} normal block at 0x00000229A1DBF0E0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x00000229A1DC0440, 16 bytes long.
 Data: <P&#229;&#218;&#161;)           > 50 E5 DA A1 29 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x00000229A1DAE550, 40 bytes long.
 Data: <@ &#220;&#161;)   &#224;&#240;&#219;&#161;)   > 40 04 DC A1 29 02 00 00 E0 F0 DB A1 29 02 00 00 
{69} normal block at 0x00000229A1DC0210, 16 bytes long.
 Data: < &#234;&#222;&#201;&#246;           > 80 EA DE C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000229A1DBFBD0, 16 bytes long.
 Data: <@&#233;&#222;&#201;&#246;           > 40 E9 DE C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000229A1DBFFE0, 16 bytes long.
 Data: <&#248;W&#219;&#201;&#246;           > F8 57 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000229A1DBFC70, 16 bytes long.
 Data: <&#216;W&#219;&#201;&#246;           > D8 57 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000229A1DC08A0, 16 bytes long.
 Data: <P &#219;&#201;&#246;           > 50 04 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000229A1DBFA90, 16 bytes long.
 Data: <0 &#219;&#201;&#246;           > 30 04 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000229A1DC03A0, 16 bytes long.
 Data: <&#224; &#219;&#201;&#246;           > E0 02 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000229A1DBFB80, 16 bytes long.
 Data: <  &#219;&#201;&#246;           > 10 04 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000229A1DBFE00, 16 bytes long.
 Data: <p &#219;&#201;&#246;           > 70 04 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000229A1DC0170, 16 bytes long.
 Data: < &#192;&#217;&#201;&#246;           > 18 C0 D9 C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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