Task 38674528

Name	test_487-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND0553_1
Workunit	31616530
Created	26 Oct 2026, 5:33:24 UTC
Sent	26 Oct 2026, 5:33:37 UTC
Report deadline	31 Oct 2026, 5:33:37 UTC
Received	26 Oct 2026, 6:10:32 UTC
Server state	Over
Outcome	Success
Client state	Done
Exit status	0 (0x00000000)
Computer ID	619953
Run time	32 min 30 sec
CPU time	27 min 21 sec
Validate state	Valid
Credit	60,000.00
Device peak FLOPS	29,149.23 GFLOPS
Application version	ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64
Peak working set size	729.70 MB
Peak swap size	5.41 GB
Peak disk usage	4.05 GB
Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:39:12 (28476): wrapper (7.9.26016): starting
14:39:12 (28476): 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
14:39:15 (28476): Library/usr/bin/tar.exe exited; CPU time 0.015625
14:39:15 (28476): 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 'E:\BoincData\slots\11\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 'E:\BoincData\slots\11\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
15:09:27 (28476): C:/Windows/system32/cmd.exe exited; CPU time 1641.296875
15:09:27 (28476): called boinc_finish(0)
0 bytes in 0 Free Blocks.
380 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: 39906011 bytes.
Dumping objects ->
{3835399} normal block at 0x000002577E536620, 48 bytes long.
 Data: <PATH=E:\BoincDat> 50 41 54 48 3D 45 3A 5C 42 6F 69 6E 63 44 61 74 
{3835388} normal block at 0x0000025700476320, 32 bytes long.
 Data: <HOME=E:\BoincDat> 48 4F 4D 45 3D 45 3A 5C 42 6F 69 6E 63 44 61 74 
{3835377} normal block at 0x0000025700476AA0, 32 bytes long.
 Data: <TMP=E:\BoincData> 54 4D 50 3D 45 3A 5C 42 6F 69 6E 63 44 61 74 61 
{3835366} normal block at 0x0000025700475BA0, 32 bytes long.
 Data: <TEMP=E:\BoincDat> 54 45 4D 50 3D 45 3A 5C 42 6F 69 6E 63 44 61 74 
{3835355} normal block at 0x0000025700476A40, 32 bytes long.
 Data: <TMPDIR=E:\BoincD> 54 4D 50 44 49 52 3D 45 3A 5C 42 6F 69 6E 63 44 
{3835324} normal block at 0x000002577E536BD0, 48 bytes long.
 Data: <PATH=E:\BoincDat> 50 41 54 48 3D 45 3A 5C 42 6F 69 6E 63 44 61 74 
{3835313} normal block at 0x0000025700440690, 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) : {3835310} normal block at 0x000002577E52F4B0, 8 bytes long.
 Data: <   ~W   > 00 00 82 7E 57 02 00 00 
{3834688} normal block at 0x0000025700440530, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834077} normal block at 0x000002577E52F370, 8 bytes long.
 Data: <  Q~W   > A0 E5 51 7E 57 02 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000002577E532C80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000002577E526E60, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x000002577E537410, 16 bytes long.
 Data: <  S~W           > 18 85 53 7E 57 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000002577E537F00, 16 bytes long.
 Data: <  S~W           > F0 84 53 7E 57 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002577E5319F0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x000002577E5377D0, 16 bytes long.
 Data: <&#200; S~W           > C8 84 53 7E 57 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002577E537550, 16 bytes long.
 Data: <  S~W           > A0 84 53 7E 57 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002577E537CD0, 16 bytes long.
 Data: <x S~W           > 78 84 53 7E 57 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002577E537C30, 16 bytes long.
 Data: <P S~W           > 50 84 53 7E 57 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002577E5367E0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x000002577E5376E0, 16 bytes long.
 Data: <X&#195;Q~W           > 58 C3 51 7E 57 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002577E531390, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x000002577E537730, 16 bytes long.
 Data: <0&#195;Q~W           > 30 C3 51 7E 57 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002577E537C80, 16 bytes long.
 Data: < &#195;Q~W           > 08 C3 51 7E 57 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002577E537690, 16 bytes long.
 Data: < &#194;Q~W           > E0 C2 51 7E 57 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002577E5374B0, 16 bytes long.
 Data: <&#184;&#194;Q~W           > B8 C2 51 7E 57 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002577E537FA0, 16 bytes long.
 Data: < &#194;Q~W           > 90 C2 51 7E 57 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002577E537E10, 16 bytes long.
 Data: <h&#194;Q~W           > 68 C2 51 7E 57 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002577E531ED0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x000002577E5380E0, 16 bytes long.
 Data: <@&#194;Q~W           > 40 C2 51 7E 57 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002577E51C240, 320 bytes long.
 Data: <  S~W   &#208; S~W   > E0 80 53 7E 57 02 00 00 D0 1E 53 7E 57 02 00 00 
{281} normal block at 0x000002577E537320, 16 bytes long.
 Data: <0 S~W           > 30 84 53 7E 57 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002577E537E60, 16 bytes long.
 Data: <  S~W           > 08 84 53 7E 57 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002577E531C90, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x000002577E537AF0, 16 bytes long.
 Data: <  S~W           > E0 83 53 7E 57 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002577E531AB0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x000002577E538130, 16 bytes long.
 Data: <( S~W           > 28 83 53 7E 57 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002577E537A50, 16 bytes long.
 Data: <  S~W           > 00 83 53 7E 57 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002577E537FF0, 16 bytes long.
 Data: <&#216; S~W           > D8 82 53 7E 57 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002577E537B90, 16 bytes long.
 Data: <&#176; S~W           > B0 82 53 7E 57 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002577E537D20, 16 bytes long.
 Data: <  S~W           > 88 82 53 7E 57 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002577E5378C0, 16 bytes long.
 Data: <` S~W           > 60 82 53 7E 57 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002577E537910, 16 bytes long.
 Data: < gS~W           > 00 67 53 7E 57 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002577E536700, 40 bytes long.
 Data: < yS~W   &#208;kS~W   > 10 79 53 7E 57 02 00 00 D0 6B 53 7E 57 02 00 00 
{267} normal block at 0x000002577E537640, 16 bytes long.
 Data: <@ S~W           > 40 82 53 7E 57 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002577E537460, 16 bytes long.
 Data: <  S~W           > 18 82 53 7E 57 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002577E5317B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x000002577E537780, 16 bytes long.
 Data: <  S~W           > F0 81 53 7E 57 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002577E5381F0, 992 bytes long.
 Data: < wS~W   &#176; S~W   > 80 77 53 7E 57 02 00 00 B0 17 53 7E 57 02 00 00 
{99} normal block at 0x000002577E531990, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x000002577E52E9C0, 16 bytes long.
 Data: <  Q~W           > 80 9B 51 7E 57 02 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x000002577E519B80, 40 bytes long.
 Data: <&#192; R~W     S~W   > C0 E9 52 7E 57 02 00 00 90 19 53 7E 57 02 00 00 
{74} normal block at 0x000002577E52E920, 16 bytes long.
 Data: <  2@            > 80 EA 32 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002577E52E7E0, 16 bytes long.
 Data: <@ 2@            > 40 E9 32 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002577E52F280, 16 bytes long.
 Data: < W/@            > F8 57 2F 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002577E52F140, 16 bytes long.
 Data: <&#216;W/@            > D8 57 2F 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002577E52F320, 16 bytes long.
 Data: <P /@            > 50 04 2F 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002577E52F3C0, 16 bytes long.
 Data: <0 /@            > 30 04 2F 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002577E52F5A0, 16 bytes long.
 Data: <  /@            > E0 02 2F 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002577E52F190, 16 bytes long.
 Data: <  /@            > 10 04 2F 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002577E52F0F0, 16 bytes long.
 Data: <p /@            > 70 04 2F 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002577E52EE20, 16 bytes long.
 Data: < &#192;-@            > 18 C0 2D 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>