Task 38679451

Name test_833-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND1803_0
Workunit 31621225
Created 26 Oct 2026, 20:36:57 UTC
Sent 26 Oct 2026, 20:37:04 UTC
Report deadline 31 Oct 2026, 20:37:04 UTC
Received 26 Oct 2026, 21:49:45 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 623100
Run time 23 min 13 sec
CPU time 21 min 36 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,239.72 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 764.57 MB
Peak swap size 10.01 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:27:04 (10480): wrapper (7.9.26016): starting
23:27:04 (10480): 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
23:27:06 (10480): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:27:06 (10480): 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
23:49:31 (10480): C:/Windows/system32/cmd.exe exited; CPU time 1296.000000
23:49:31 (10480): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 21027999 bytes.
Dumping objects ->
{3835317} normal block at 0x000001CB4DC554E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835306} normal block at 0x000001CB4DC55470, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835295} normal block at 0x000001CB4DC55940, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835284} normal block at 0x000001CB4DC55400, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835273} normal block at 0x000001CB4DC55320, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835242} normal block at 0x000001CB4F8C6540, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835231} normal block at 0x000001CB4F8DF870, 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) : {3835228} normal block at 0x000001CB4DC4E6A0, 8 bytes long.
 Data: <  &#192;M&#203;   > 00 00 C0 4D CB 01 00 00 
{3834592} normal block at 0x000001CB4F8DFC90, 102 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 0x000001CB4DC4E2E0, 8 bytes long.
 Data: < D&#146;O&#203;   > 90 44 92 4F CB 01 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000001CB4DC51A80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000001CB4DC46700, 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 0x000001CB4DC56590, 16 bytes long.
 Data: <8q&#197;M&#203;           > 38 71 C5 4D CB 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001CB4DC55AA0, 16 bytes long.
 Data: < q&#197;M&#203;           > 10 71 C5 4D CB 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001CB4DC4FB70, 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 0x000001CB4DC56450, 16 bytes long.
 Data: <&#232;p&#197;M&#203;           > E8 70 C5 4D CB 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001CB4DC56040, 16 bytes long.
 Data: <&#192;p&#197;M&#203;           > C0 70 C5 4D CB 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001CB4DC55DC0, 16 bytes long.
 Data: < p&#197;M&#203;           > 98 70 C5 4D CB 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001CB4DC56540, 16 bytes long.
 Data: <pp&#197;M&#203;           > 70 70 C5 4D CB 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001CB4DC558D0, 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 0x000001CB4DC55FF0, 16 bytes long.
 Data: <8&#186;&#195;M&#203;           > 38 BA C3 4D CB 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001CB4DC50590, 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 0x000001CB4DC55D70, 16 bytes long.
 Data: < &#186;&#195;M&#203;           > 10 BA C3 4D CB 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001CB4DC56400, 16 bytes long.
 Data: <&#232;&#185;&#195;M&#203;           > E8 B9 C3 4D CB 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001CB4DC55D20, 16 bytes long.
 Data: <&#192;&#185;&#195;M&#203;           > C0 B9 C3 4D CB 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001CB4DC55A50, 16 bytes long.
 Data: < &#185;&#195;M&#203;           > 98 B9 C3 4D CB 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001CB4DC563B0, 16 bytes long.
 Data: <p&#185;&#195;M&#203;           > 70 B9 C3 4D CB 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001CB4DC56360, 16 bytes long.
 Data: <H&#185;&#195;M&#203;           > 48 B9 C3 4D CB 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001CB4DC500B0, 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 0x000001CB4DC55FA0, 16 bytes long.
 Data: < &#185;&#195;M&#203;           > 20 B9 C3 4D CB 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001CB4DC3B920, 320 bytes long.
 Data: <&#160;_&#197;M&#203;   &#176; &#197;M&#203;   > A0 5F C5 4D CB 01 00 00 B0 00 C5 4D CB 01 00 00 
{280} normal block at 0x000001CB4DC569A0, 16 bytes long.
 Data: <Pp&#197;M&#203;           > 50 70 C5 4D CB 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001CB4DC55F50, 16 bytes long.
 Data: <(p&#197;M&#203;           > 28 70 C5 4D CB 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001CB4DC4FFF0, 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 0x000001CB4DC564F0, 16 bytes long.
 Data: < p&#197;M&#203;           > 00 70 C5 4D CB 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001CB4DC4FF90, 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 0x000001CB4DC55E10, 16 bytes long.
 Data: <Ho&#197;M&#203;           > 48 6F C5 4D CB 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001CB4DC55F00, 16 bytes long.
 Data: < o&#197;M&#203;           > 20 6F C5 4D CB 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001CB4DC55CD0, 16 bytes long.
 Data: <&#248;n&#197;M&#203;           > F8 6E C5 4D CB 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001CB4DC55EB0, 16 bytes long.
 Data: <&#208;n&#197;M&#203;           > D0 6E C5 4D CB 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001CB4DC55B40, 16 bytes long.
 Data: <&#168;n&#197;M&#203;           > A8 6E C5 4D CB 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001CB4DC56900, 16 bytes long.
 Data: < n&#197;M&#203;           > 80 6E C5 4D CB 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001CB4DC56310, 16 bytes long.
 Data: < S&#197;M&#203;           > 90 53 C5 4D CB 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001CB4DC55390, 40 bytes long.
 Data: < c&#197;M&#203;   @e O&#203;   > 10 63 C5 4D CB 01 00 00 40 65 8C 4F CB 01 00 00 
{266} normal block at 0x000001CB4DC56270, 16 bytes long.
 Data: <`n&#197;M&#203;           > 60 6E C5 4D CB 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001CB4DC55C80, 16 bytes long.
 Data: <8n&#197;M&#203;           > 38 6E C5 4D CB 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001CB4DC501D0, 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 0x000001CB4DC55BE0, 16 bytes long.
 Data: < n&#197;M&#203;           > 10 6E C5 4D CB 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001CB4DC56E10, 992 bytes long.
 Data: <&#224;[&#197;M&#203;   &#208; &#197;M&#203;   > E0 5B C5 4D CB 01 00 00 D0 01 C5 4D CB 01 00 00 
{98} normal block at 0x000001CB4DC4F930, 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 0x000001CB4DC4E830, 16 bytes long.
 Data: < &#204;&#195;M&#203;           > 00 CC C3 4D CB 01 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x000001CB4DC3CC00, 40 bytes long.
 Data: <0&#232;&#196;M&#203;   0&#249;&#196;M&#203;   > 30 E8 C4 4D CB 01 00 00 30 F9 C4 4D CB 01 00 00 
{75} normal block at 0x000001CB4DC4E600, 16 bytes long.
 Data: < &#234;i &#246;           > 80 EA 69 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001CB4DC4E240, 16 bytes long.
 Data: <@&#233;i &#246;           > 40 E9 69 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001CB4DC4DAC0, 16 bytes long.
 Data: <&#248;Wf &#246;           > F8 57 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001CB4DC4E1F0, 16 bytes long.
 Data: <&#216;Wf &#246;           > D8 57 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001CB4DC4E3D0, 16 bytes long.
 Data: <P f &#246;           > 50 04 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001CB4DC4DB60, 16 bytes long.
 Data: <0 f &#246;           > 30 04 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001CB4DC4DF20, 16 bytes long.
 Data: <&#224; f &#246;           > E0 02 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001CB4DC4DB10, 16 bytes long.
 Data: <  f &#246;           > 10 04 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001CB4DC4E0B0, 16 bytes long.
 Data: <p f &#246;           > 70 04 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001CB4DC4DA70, 16 bytes long.
 Data: < &#192;d &#246;           > 18 C0 64 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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