Task 38653929

Name test_112-GPUGRID_TEST_ATM_40STEP_20261023-4-40-RND1505_0
Workunit 31597800
Created 24 Oct 2026, 6:24:01 UTC
Sent 24 Oct 2026, 6:53:04 UTC
Report deadline 29 Oct 2026, 6:53:04 UTC
Received 24 Oct 2026, 8:01:51 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 616957
Run time 26 min 43 sec
CPU time 25 min 24 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 19,295.78 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 733.79 MB
Peak swap size 8.39 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:35:10 (29504): wrapper (7.9.26016): starting
09:35:10 (29504): 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
09:35:11 (29504): Library/usr/bin/tar.exe exited; CPU time 0.015625
09:35:11 (29504): 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
10:01:27 (29504): C:/Windows/system32/cmd.exe exited; CPU time 1524.125000
10:01:27 (29504): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 27851319 bytes.
Dumping objects ->
{3835266} normal block at 0x000002A8358B5F90, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835255} normal block at 0x000002A8358B64D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835244} normal block at 0x000002A8358B6070, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835233} normal block at 0x000002A8358B62A0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835222} normal block at 0x000002A8358B6620, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835191} normal block at 0x000002A8376B8CD0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835178} normal block at 0x000002A8358B0330, 8 bytes long.
 Data: <  &#217;5&#168;   > 00 00 D9 35 A8 02 00 00 
{3833963} normal block at 0x000002A8358B0240, 8 bytes long.
 Data: <&#192;&#217;&#137;5&#168;   > C0 D9 89 35 A8 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000002A8358A5480, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002A8358A6D00, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x000002A8358B4EA0, 16 bytes long.
 Data: <&#216;]&#139;5&#168;           > D8 5D 8B 35 A8 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002A8358B52B0, 16 bytes long.
 Data: <&#176;]&#139;5&#168;           > B0 5D 8B 35 A8 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002A8358B0E00, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x000002A8358B5080, 16 bytes long.
 Data: < ]&#139;5&#168;           > 88 5D 8B 35 A8 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002A8358B5170, 16 bytes long.
 Data: <`]&#139;5&#168;           > 60 5D 8B 35 A8 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002A8358B4E50, 16 bytes long.
 Data: <8]&#139;5&#168;           > 38 5D 8B 35 A8 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002A8358B4950, 16 bytes long.
 Data: < ]&#139;5&#168;           > 10 5D 8B 35 A8 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002A8358B5F20, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x000002A8358B4D10, 16 bytes long.
 Data: < &#151;&#138;5&#168;           > 08 97 8A 35 A8 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002A8358B0800, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x000002A8358B5210, 16 bytes long.
 Data: <&#224;&#150;&#138;5&#168;           > E0 96 8A 35 A8 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002A8358B4FE0, 16 bytes long.
 Data: <&#184;&#150;&#138;5&#168;           > B8 96 8A 35 A8 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002A8358B4A90, 16 bytes long.
 Data: < &#150;&#138;5&#168;           > 90 96 8A 35 A8 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002A8358B4860, 16 bytes long.
 Data: <h&#150;&#138;5&#168;           > 68 96 8A 35 A8 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002A8358B5120, 16 bytes long.
 Data: <@&#150;&#138;5&#168;           > 40 96 8A 35 A8 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002A8358B4810, 16 bytes long.
 Data: < &#150;&#138;5&#168;           > 18 96 8A 35 A8 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002A8358B12E0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x000002A8358B4900, 16 bytes long.
 Data: <&#240;&#149;&#138;5&#168;           > F0 95 8A 35 A8 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002A8358A95F0, 320 bytes long.
 Data: < I&#139;5&#168;   &#224; &#139;5&#168;   > 00 49 8B 35 A8 02 00 00 E0 12 8B 35 A8 02 00 00 
{277} normal block at 0x000002A8358B46D0, 16 bytes long.
 Data: <&#240;\&#139;5&#168;           > F0 5C 8B 35 A8 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002A8358B4A40, 16 bytes long.
 Data: <&#200;\&#139;5&#168;           > C8 5C 8B 35 A8 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002A8358B0DA0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x000002A8358B48B0, 16 bytes long.
 Data: <&#160;\&#139;5&#168;           > A0 5C 8B 35 A8 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002A8358B0CE0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x000002A8358B5350, 16 bytes long.
 Data: <&#232;[&#139;5&#168;           > E8 5B 8B 35 A8 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002A8358B50D0, 16 bytes long.
 Data: <&#192;[&#139;5&#168;           > C0 5B 8B 35 A8 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002A8358B4C70, 16 bytes long.
 Data: < [&#139;5&#168;           > 98 5B 8B 35 A8 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002A8358B47C0, 16 bytes long.
 Data: <p[&#139;5&#168;           > 70 5B 8B 35 A8 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002A8358B4F40, 16 bytes long.
 Data: <H[&#139;5&#168;           > 48 5B 8B 35 A8 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002A8358B53F0, 16 bytes long.
 Data: < [&#139;5&#168;           > 20 5B 8B 35 A8 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002A8358B5260, 16 bytes long.
 Data: <`&#195;&#137;5&#168;           > 60 C3 89 35 A8 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002A83589C360, 40 bytes long.
 Data: <`R&#139;5&#168;   &#208;&#140;k7&#168;   > 60 52 8B 35 A8 02 00 00 D0 8C 6B 37 A8 02 00 00 
{263} normal block at 0x000002A8358B4770, 16 bytes long.
 Data: < [&#139;5&#168;           > 00 5B 8B 35 A8 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002A8358B4E00, 16 bytes long.
 Data: <&#216;Z&#139;5&#168;           > D8 5A 8B 35 A8 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002A8358B10A0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x000002A8358B4DB0, 16 bytes long.
 Data: <&#176;Z&#139;5&#168;           > B0 5A 8B 35 A8 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002A8358B5AB0, 992 bytes long.
 Data: <&#176;M&#139;5&#168;   &#160; &#139;5&#168;   > B0 4D 8B 35 A8 02 00 00 A0 10 8B 35 A8 02 00 00 
{95} normal block at 0x000002A8358B0BC0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000002A8358AF7F0, 16 bytes long.
 Data: <@&#201;&#137;5&#168;           > 40 C9 89 35 A8 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000002A83589C940, 40 bytes long.
 Data: <&#240;&#247;&#138;5&#168;   &#192; &#139;5&#168;   > F0 F7 8A 35 A8 02 00 00 C0 0B 8B 35 A8 02 00 00 
{72} normal block at 0x000002A8358AFF70, 16 bytes long.
 Data: < &#234;\C&#247;           > 80 EA 5C 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002A8358AFAC0, 16 bytes long.
 Data: <@&#233;\C&#247;           > 40 E9 5C 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002A8358AF700, 16 bytes long.
 Data: <&#248;WYC&#247;           > F8 57 59 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002A8358AFB60, 16 bytes long.
 Data: <&#216;WYC&#247;           > D8 57 59 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002A8358AF6B0, 16 bytes long.
 Data: <P YC&#247;           > 50 04 59 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002A8358AFD40, 16 bytes long.
 Data: <0 YC&#247;           > 30 04 59 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002A8358AFB10, 16 bytes long.
 Data: <&#224; YC&#247;           > E0 02 59 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002A8358B01F0, 16 bytes long.
 Data: <  YC&#247;           > 10 04 59 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002A8358AFCF0, 16 bytes long.
 Data: <p YC&#247;           > 70 04 59 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002A8358B04C0, 16 bytes long.
 Data: < &#192;WC&#247;           > 18 C0 57 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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