Task 38678587

Name test_143-GPUGRID_TEST_ATM_40STEP_20261023-9-40-RND7187_0
Workunit 31620401
Created 26 Oct 2026, 17:53:35 UTC
Sent 26 Oct 2026, 17:53:41 UTC
Report deadline 31 Oct 2026, 17:53:41 UTC
Received 26 Oct 2026, 18:22:20 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 638078
Run time 20 min 27 sec
CPU time 16 min 13 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 51,075.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 807.52 MB
Peak swap size 10.08 GB
Peak disk usage 3.24 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
19:02:22 (12484): wrapper (7.9.26016): starting
19:02:22 (12484): 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
19:02:23 (12484): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:02:23 (12484): 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 'D:\ProgramData\BOINC\slots\24\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 'D:\ProgramData\BOINC\slots\24\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
19:22:07 (12484): C:/Windows/system32/cmd.exe exited; CPU time 973.781250
19:22:07 (12484): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 27052110 bytes.
Dumping objects ->
{3835471} normal block at 0x00000164A2ED4900, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835460} normal block at 0x00000164A2ED46D0, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835449} normal block at 0x00000164A1194BA0, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835438} normal block at 0x00000164A1194B30, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835427} normal block at 0x00000164A1194F90, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835396} normal block at 0x00000164A2E46080, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835385} normal block at 0x00000164A2E5DAC0, 85 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) : {3835382} normal block at 0x00000164A118E070, 8 bytes long.
 Data: <  r&#161;d   > 00 00 72 A1 64 01 00 00 
{3834663} normal block at 0x00000164A2E5DA20, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833969} normal block at 0x00000164A118D940, 8 bytes long.
 Data: <PL&#234;&#162;d   > 50 4C EA A2 64 01 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x00000164A1191430, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x00000164A1186550, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x00000164A1195A00, 16 bytes long.
 Data: < j &#161;d           > 18 6A 19 A1 64 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000164A11962C0, 16 bytes long.
 Data: <&#240;i &#161;d           > F0 69 19 A1 64 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000164A118F4C0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x00000164A1195AF0, 16 bytes long.
 Data: <&#200;i &#161;d           > C8 69 19 A1 64 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000164A1195F50, 16 bytes long.
 Data: <&#160;i &#161;d           > A0 69 19 A1 64 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000164A1196590, 16 bytes long.
 Data: <xi &#161;d           > 78 69 19 A1 64 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000164A1196220, 16 bytes long.
 Data: <Pi &#161;d           > 50 69 19 A1 64 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000164A1194C10, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x00000164A11959B0, 16 bytes long.
 Data: <&#216;&#138; &#161;d           > D8 8A 18 A1 64 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000164A118F160, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x00000164A11961D0, 16 bytes long.
 Data: <&#176;&#138; &#161;d           > B0 8A 18 A1 64 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000164A1196180, 16 bytes long.
 Data: < &#138; &#161;d           > 88 8A 18 A1 64 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000164A1195F00, 16 bytes long.
 Data: <`&#138; &#161;d           > 60 8A 18 A1 64 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000164A1196270, 16 bytes long.
 Data: <8&#138; &#161;d           > 38 8A 18 A1 64 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000164A1195EB0, 16 bytes long.
 Data: < &#138; &#161;d           > 10 8A 18 A1 64 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000164A1196540, 16 bytes long.
 Data: <&#232;&#137; &#161;d           > E8 89 18 A1 64 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000164A118F460, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x00000164A1195E60, 16 bytes long.
 Data: <&#192;&#137; &#161;d           > C0 89 18 A1 64 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000164A11889C0, 320 bytes long.
 Data: <`^ &#161;d   `&#244; &#161;d   > 60 5E 19 A1 64 01 00 00 60 F4 18 A1 64 01 00 00 
{280} normal block at 0x00000164A1195DC0, 16 bytes long.
 Data: <0i &#161;d           > 30 69 19 A1 64 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000164A1195FF0, 16 bytes long.
 Data: < i &#161;d           > 08 69 19 A1 64 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000164A118EE00, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x00000164A11964F0, 16 bytes long.
 Data: <&#224;h &#161;d           > E0 68 19 A1 64 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000164A118F940, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x00000164A11957D0, 16 bytes long.
 Data: <(h &#161;d           > 28 68 19 A1 64 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000164A1196090, 16 bytes long.
 Data: < h &#161;d           > 00 68 19 A1 64 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000164A1195960, 16 bytes long.
 Data: <&#216;g &#161;d           > D8 67 19 A1 64 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000164A11965E0, 16 bytes long.
 Data: <&#176;g &#161;d           > B0 67 19 A1 64 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000164A1195E10, 16 bytes long.
 Data: < g &#161;d           > 88 67 19 A1 64 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000164A1195C30, 16 bytes long.
 Data: <`g &#161;d           > 60 67 19 A1 64 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000164A11964A0, 16 bytes long.
 Data: <&#240;L &#161;d           > F0 4C 19 A1 64 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000164A1194CF0, 40 bytes long.
 Data: <&#160;d &#161;d    `&#228;&#162;d   > A0 64 19 A1 64 01 00 00 80 60 E4 A2 64 01 00 00 
{266} normal block at 0x00000164A1196450, 16 bytes long.
 Data: <@g &#161;d           > 40 67 19 A1 64 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000164A1195CD0, 16 bytes long.
 Data: < g &#161;d           > 18 67 19 A1 64 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000164A118F640, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x00000164A1195D70, 16 bytes long.
 Data: <&#240;f &#161;d           > F0 66 19 A1 64 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000164A11966F0, 992 bytes long.
 Data: <p] &#161;d   @&#246; &#161;d   > 70 5D 19 A1 64 01 00 00 40 F6 18 A1 64 01 00 00 
{98} normal block at 0x00000164A118FAC0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x00000164A118D6C0, 16 bytes long.
 Data: < &#236; &#161;d           > 90 EC 18 A1 64 01 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x00000164A118EC90, 40 bytes long.
 Data: <&#192;&#214; &#161;d   &#192;&#250; &#161;d   > C0 D6 18 A1 64 01 00 00 C0 FA 18 A1 64 01 00 00 
{75} normal block at 0x00000164A118E020, 16 bytes long.
 Data: < &#234;j &#246;           > 80 EA 6A 01 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x00000164A118DEE0, 16 bytes long.
 Data: <@&#233;j &#246;           > 40 E9 6A 01 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000164A118DFD0, 16 bytes long.
 Data: <&#248;Wg &#246;           > F8 57 67 01 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000164A118DCB0, 16 bytes long.
 Data: <&#216;Wg &#246;           > D8 57 67 01 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000164A118DD50, 16 bytes long.
 Data: <P g &#246;           > 50 04 67 01 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000164A118E2A0, 16 bytes long.
 Data: <0 g &#246;           > 30 04 67 01 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000164A118D620, 16 bytes long.
 Data: <&#224; g &#246;           > E0 02 67 01 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000164A118E110, 16 bytes long.
 Data: <  g &#246;           > 10 04 67 01 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000164A118D4E0, 16 bytes long.
 Data: <p g &#246;           > 70 04 67 01 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000164A118E250, 16 bytes long.
 Data: < &#192;e &#246;           > 18 C0 65 01 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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