Task 38675983

Name test_870-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND2021_0
Workunit 31617923
Created 26 Oct 2026, 9:54:54 UTC
Sent 26 Oct 2026, 9:54:57 UTC
Report deadline 31 Oct 2026, 9:54:57 UTC
Received 26 Oct 2026, 10:34:52 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 646261
Run time 19 min 26 sec
CPU time 18 min 40 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 39,048.75 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 733.69 MB
Peak swap size 13.03 GB
Peak disk usage 4.06 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
11:15:25 (14944): wrapper (7.9.26016): starting
11:15:25 (14944): 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
11:15:26 (14944): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:15:26 (14944): 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\1\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\1\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
11:34:26 (14944): C:/Windows/system32/cmd.exe exited; CPU time 1120.468750
11:34:26 (14944): 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: 24039693 bytes.
Dumping objects ->
{3835519} normal block at 0x0000024228EB3010, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835508} normal block at 0x0000024228EB31D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835497} normal block at 0x0000024228EB2EC0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835486} normal block at 0x0000024228EB3A20, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835475} normal block at 0x0000024228EB3470, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835444} normal block at 0x0000024228F5D810, 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) : {3835431} normal block at 0x00000242272AE690, 8 bytes long.
 Data: <  &#132;'B   > 00 00 84 27 42 02 00 00 
{3833967} normal block at 0x00000242272AE640, 8 bytes long.
 Data: <pG )B   > 70 47 00 29 42 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x00000242272B1AA0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000242272A6A80, 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 0x00000242272B6280, 16 bytes long.
 Data: <&#216;n+'B           > D8 6E 2B 27 42 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000242272B64B0, 16 bytes long.
 Data: <&#176;n+'B           > B0 6E 2B 27 42 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000242272B0270, 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 0x00000242272B6460, 16 bytes long.
 Data: < n+'B           > 88 6E 2B 27 42 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000242272B5CE0, 16 bytes long.
 Data: <`n+'B           > 60 6E 2B 27 42 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000242272B65A0, 16 bytes long.
 Data: <8n+'B           > 38 6E 2B 27 42 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000242272B6410, 16 bytes long.
 Data: < n+'B           > 10 6E 2B 27 42 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000242272B4400, 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 0x00000242272B6230, 16 bytes long.
 Data: <&#248;&#243;)'B           > F8 F3 29 27 42 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000242272AF910, 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 0x00000242272B6AF0, 16 bytes long.
 Data: <&#208;&#243;)'B           > D0 F3 29 27 42 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000242272B61E0, 16 bytes long.
 Data: <&#168;&#243;)'B           > A8 F3 29 27 42 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000242272B6550, 16 bytes long.
 Data: < &#243;)'B           > 80 F3 29 27 42 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000242272B67D0, 16 bytes long.
 Data: <X&#243;)'B           > 58 F3 29 27 42 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000242272B5E70, 16 bytes long.
 Data: <0&#243;)'B           > 30 F3 29 27 42 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000242272B6140, 16 bytes long.
 Data: < &#243;)'B           > 08 F3 29 27 42 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000242272AFB50, 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 0x00000242272B6190, 16 bytes long.
 Data: <&#224;&#242;)'B           > E0 F2 29 27 42 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002422729F2E0, 320 bytes long.
 Data: < a+'B   P&#251;*'B   > 90 61 2B 27 42 02 00 00 50 FB 2A 27 42 02 00 00 
{279} normal block at 0x00000242272B5FB0, 16 bytes long.
 Data: <&#240;m+'B           > F0 6D 2B 27 42 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000242272B60F0, 16 bytes long.
 Data: <&#200;m+'B           > C8 6D 2B 27 42 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000242272AFD30, 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 0x00000242272B6640, 16 bytes long.
 Data: <&#160;m+'B           > A0 6D 2B 27 42 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000242272B0210, 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 0x00000242272B6000, 16 bytes long.
 Data: <&#232;l+'B           > E8 6C 2B 27 42 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000242272B6730, 16 bytes long.
 Data: <&#192;l+'B           > C0 6C 2B 27 42 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000242272B5F60, 16 bytes long.
 Data: < l+'B           > 98 6C 2B 27 42 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000242272B60A0, 16 bytes long.
 Data: <pl+'B           > 70 6C 2B 27 42 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000242272B68C0, 16 bytes long.
 Data: <Hl+'B           > 48 6C 2B 27 42 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000242272B5F10, 16 bytes long.
 Data: < l+'B           > 20 6C 2B 27 42 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000242272B6050, 16 bytes long.
 Data: <&#224;D+'B           > E0 44 2B 27 42 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000242272B44E0, 40 bytes long.
 Data: <P`+'B    &#216;&#245;(B   > 50 60 2B 27 42 02 00 00 10 D8 F5 28 42 02 00 00 
{265} normal block at 0x00000242272B5E20, 16 bytes long.
 Data: < l+'B           > 00 6C 2B 27 42 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000242272B6960, 16 bytes long.
 Data: <&#216;k+'B           > D8 6B 2B 27 42 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000242272AF790, 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 0x00000242272B5DD0, 16 bytes long.
 Data: <&#176;k+'B           > B0 6B 2B 27 42 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000242272B6BB0, 992 bytes long.
 Data: <&#208;]+'B    &#247;*'B   > D0 5D 2B 27 42 02 00 00 90 F7 2A 27 42 02 00 00 
{97} normal block at 0x00000242272AFA90, 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 0x00000242272ADD80, 16 bytes long.
 Data: < C+'B           > 90 43 2B 27 42 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x00000242272B4390, 40 bytes long.
 Data: < &#221;*'B    &#250;*'B   > 80 DD 2A 27 42 02 00 00 90 FA 2A 27 42 02 00 00 
{74} normal block at 0x00000242272AE280, 16 bytes long.
 Data: < &#234;T&#146;&#246;           > 80 EA 54 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000242272ADEC0, 16 bytes long.
 Data: <@&#233;T&#146;&#246;           > 40 E9 54 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000242272AE230, 16 bytes long.
 Data: <&#248;WQ&#146;&#246;           > F8 57 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000242272AE0F0, 16 bytes long.
 Data: <&#216;WQ&#146;&#246;           > D8 57 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000242272AE5A0, 16 bytes long.
 Data: <P Q&#146;&#246;           > 50 04 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000242272AD880, 16 bytes long.
 Data: <0 Q&#146;&#246;           > 30 04 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000242272AE410, 16 bytes long.
 Data: <&#224; Q&#146;&#246;           > E0 02 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000242272ADF10, 16 bytes long.
 Data: <  Q&#146;&#246;           > 10 04 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000242272AE1E0, 16 bytes long.
 Data: <p Q&#146;&#246;           > 70 04 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000242272AD830, 16 bytes long.
 Data: < &#192;O&#146;&#246;           > 18 C0 4F 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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