Task 38663219

Name test_894-GPUGRID_TEST_ATM_40STEP_20261023-6-40-RND8733_0
Workunit 31606442
Created 24 Oct 2026, 21:33:35 UTC
Sent 24 Oct 2026, 21:33:46 UTC
Report deadline 29 Oct 2026, 21:33:46 UTC
Received 25 Oct 2026, 21:53:20 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 629206
Run time 40 min 19 sec
CPU time 40 min 19 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,848.68 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 708.28 MB
Peak swap size 5.35 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
22:34:47 (24816): wrapper (7.9.26016): starting
22:34:47 (24816): 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
22:34:48 (24816): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:34:48 (24816): 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.
20:00:42 (21356): wrapper (7.9.26016): starting
20:00:42 (21356): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
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
21:52:50 (21356): C:/Windows/system32/cmd.exe exited; CPU time 748.296875
21:52:50 (21356): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 Normal Blocks.
2288 bytes in 2 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 130847150 bytes.
Dumping objects ->
{3850295} normal block at 0x000001FD38EEFAB0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3850284} normal block at 0x000001FD38EF00D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3850273} normal block at 0x000001FD38EF0610, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3850262} normal block at 0x000001FD373148E0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3850251} normal block at 0x000001FD37314E20, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3850220} normal block at 0x000001FD38F69640, 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) : {3850207} normal block at 0x000001FD3730F5C0, 8 bytes long.
 Data: <  ,7&#253;   > 00 00 2C 37 FD 01 00 00 
{3848650} normal block at 0x000001FD3730F610, 8 bytes long.
 Data: <&#192;Z&#255;8&#253;   > C0 5A FF 38 FD 01 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001FD373114F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001FD37306820, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x000001FD37315990, 16 bytes long.
 Data: < f17&#253;           > 88 66 31 37 FD 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001FD37315DF0, 16 bytes long.
 Data: <`f17&#253;           > 60 66 31 37 FD 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001FD3730FC20, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x000001FD37315800, 16 bytes long.
 Data: <8f17&#253;           > 38 66 31 37 FD 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001FD37315BC0, 16 bytes long.
 Data: < f17&#253;           > 10 66 31 37 FD 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001FD37316020, 16 bytes long.
 Data: <&#232;e17&#253;           > E8 65 31 37 FD 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001FD37315C60, 16 bytes long.
 Data: <&#192;e17&#253;           > C0 65 31 37 FD 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001FD37314CD0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x000001FD373158F0, 16 bytes long.
 Data: < &#181;/7&#253;           > 98 B5 2F 37 FD 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001FD37310760, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x000001FD373162A0, 16 bytes long.
 Data: <p&#181;/7&#253;           > 70 B5 2F 37 FD 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001FD37315C10, 16 bytes long.
 Data: <H&#181;/7&#253;           > 48 B5 2F 37 FD 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001FD373157B0, 16 bytes long.
 Data: < &#181;/7&#253;           > 20 B5 2F 37 FD 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001FD373156C0, 16 bytes long.
 Data: <&#248;&#180;/7&#253;           > F8 B4 2F 37 FD 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001FD37316110, 16 bytes long.
 Data: <&#208;&#180;/7&#253;           > D0 B4 2F 37 FD 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001FD37315580, 16 bytes long.
 Data: <&#168;&#180;/7&#253;           > A8 B4 2F 37 FD 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001FD37310700, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x000001FD373154E0, 16 bytes long.
 Data: < &#180;/7&#253;           > 80 B4 2F 37 FD 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001FD372FB480, 320 bytes long.
 Data: <&#224;T17&#253;     17&#253;   > E0 54 31 37 FD 01 00 00 00 07 31 37 FD 01 00 00 
{279} normal block at 0x000001FD37315E90, 16 bytes long.
 Data: <&#160;e17&#253;           > A0 65 31 37 FD 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001FD373155D0, 16 bytes long.
 Data: <xe17&#253;           > 78 65 31 37 FD 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001FD3730FB60, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x000001FD37316250, 16 bytes long.
 Data: <Pe17&#253;           > 50 65 31 37 FD 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001FD37310640, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x000001FD37315F80, 16 bytes long.
 Data: < d17&#253;           > 98 64 31 37 FD 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001FD37315A30, 16 bytes long.
 Data: <pd17&#253;           > 70 64 31 37 FD 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001FD37315760, 16 bytes long.
 Data: <Hd17&#253;           > 48 64 31 37 FD 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001FD37315E40, 16 bytes long.
 Data: < d17&#253;           > 20 64 31 37 FD 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001FD37315D00, 16 bytes long.
 Data: <&#248;c17&#253;           > F8 63 31 37 FD 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001FD37315530, 16 bytes long.
 Data: <&#208;c17&#253;           > D0 63 31 37 FD 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001FD37315B70, 16 bytes long.
 Data: <PI17&#253;           > 50 49 31 37 FD 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001FD37314950, 40 bytes long.
 Data: <p[17&#253;   @&#150;&#246;8&#253;   > 70 5B 31 37 FD 01 00 00 40 96 F6 38 FD 01 00 00 
{265} normal block at 0x000001FD37315B20, 16 bytes long.
 Data: <&#176;c17&#253;           > B0 63 31 37 FD 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001FD37315490, 16 bytes long.
 Data: < c17&#253;           > 88 63 31 37 FD 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001FD3730F980, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x000001FD37315AD0, 16 bytes long.
 Data: <`c17&#253;           > 60 63 31 37 FD 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001FD37316360, 992 bytes long.
 Data: <&#208;Z17&#253;    &#249;07&#253;   > D0 5A 31 37 FD 01 00 00 80 F9 30 37 FD 01 00 00 
{97} normal block at 0x000001FD37310340, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x000001FD3730EEE0, 16 bytes long.
 Data: <@M17&#253;           > 40 4D 31 37 FD 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000001FD37314D40, 40 bytes long.
 Data: <&#224;&#238;07&#253;   @ 17&#253;   > E0 EE 30 37 FD 01 00 00 40 03 31 37 FD 01 00 00 
{74} normal block at 0x000001FD3730E850, 16 bytes long.
 Data: < &#234;&#228;&#245;&#247;           > 80 EA E4 F5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001FD3730F570, 16 bytes long.
 Data: <@&#233;&#228;&#245;&#247;           > 40 E9 E4 F5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001FD3730E8F0, 16 bytes long.
 Data: <&#248;W&#225;&#245;&#247;           > F8 57 E1 F5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001FD3730F110, 16 bytes long.
 Data: <&#216;W&#225;&#245;&#247;           > D8 57 E1 F5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001FD3730E990, 16 bytes long.
 Data: <P &#225;&#245;&#247;           > 50 04 E1 F5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001FD3730F0C0, 16 bytes long.
 Data: <0 &#225;&#245;&#247;           > 30 04 E1 F5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001FD3730F2F0, 16 bytes long.
 Data: <&#224; &#225;&#245;&#247;           > E0 02 E1 F5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001FD3730EE90, 16 bytes long.
 Data: <  &#225;&#245;&#247;           > 10 04 E1 F5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001FD3730F020, 16 bytes long.
 Data: <p &#225;&#245;&#247;           > 70 04 E1 F5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001FD3730F390, 16 bytes long.
 Data: < &#192;&#223;&#245;&#247;           > 18 C0 DF F5 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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