Task 38689076

Name test_652-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND4173_0
Workunit 31630354
Created 28 Oct 2026, 18:09:29 UTC
Sent 28 Oct 2026, 18:09:37 UTC
Report deadline 2 Nov 2026, 18:09:37 UTC
Received 28 Oct 2026, 19:37:34 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652372
Run time 53 min 30 sec
CPU time 50 min 44 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,888.09 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 876.56 MB
Peak swap size 6.73 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
19:44:52 (18668): wrapper (7.9.26016): starting
19:44:52 (18668): 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
19:44:54 (18668): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:44:54 (18668): 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\6\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\6\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
20:37:11 (18668): C:/Windows/system32/cmd.exe exited; CPU time 3044.578125
20:37:11 (18668): 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: 46378377 bytes.
Dumping objects ->
{3835551} normal block at 0x000001BED924ACB0, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835540} normal block at 0x000001BED9225BA0, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835529} normal block at 0x000001BED9225C80, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835518} normal block at 0x000001BED9225AC0, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835507} normal block at 0x000001BED9225970, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835476} normal block at 0x000001BEDAE7CF10, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835465} normal block at 0x000001BEDAE8F740, 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) : {3835462} normal block at 0x000001BED921F3E0, 8 bytes long.
 Data: <  z&#217;&#190;   > 00 00 7A D9 BE 01 00 00 
{3834687} normal block at 0x000001BEDAE903A0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x000001BED921F750, 8 bytes long.
 Data: <0H&#240;&#218;&#190;   > 30 48 F0 DA BE 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001BED9221860, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001BED9216A20, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x000001BED92263C0, 16 bytes long.
 Data: <&#200;t"&#217;&#190;           > C8 74 22 D9 BE 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001BED9227090, 16 bytes long.
 Data: <&#160;t"&#217;&#190;           > A0 74 22 D9 BE 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001BED9220370, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x000001BED9226FF0, 16 bytes long.
 Data: <xt"&#217;&#190;           > 78 74 22 D9 BE 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001BED9226FA0, 16 bytes long.
 Data: <Pt"&#217;&#190;           > 50 74 22 D9 BE 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001BED9226370, 16 bytes long.
 Data: <(t"&#217;&#190;           > 28 74 22 D9 BE 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001BED9226F00, 16 bytes long.
 Data: < t"&#217;&#190;           > 00 74 22 D9 BE 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001BED9225660, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x000001BED9226E60, 16 bytes long.
 Data: <&#200;^"&#217;&#190;           > C8 5E 22 D9 BE 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001BED92202B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x000001BED9226BE0, 16 bytes long.
 Data: <&#160;^"&#217;&#190;           > A0 5E 22 D9 BE 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001BED9226A50, 16 bytes long.
 Data: <x^"&#217;&#190;           > 78 5E 22 D9 BE 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001BED92261E0, 16 bytes long.
 Data: <P^"&#217;&#190;           > 50 5E 22 D9 BE 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001BED92269B0, 16 bytes long.
 Data: <(^"&#217;&#190;           > 28 5E 22 D9 BE 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001BED9226EB0, 16 bytes long.
 Data: < ^"&#217;&#190;           > 00 5E 22 D9 BE 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001BED92262D0, 16 bytes long.
 Data: <&#216;]"&#217;&#190;           > D8 5D 22 D9 BE 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001BED9220FD0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x000001BED9226E10, 16 bytes long.
 Data: <&#176;]"&#217;&#190;           > B0 5D 22 D9 BE 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001BED9225DB0, 320 bytes long.
 Data: < n"&#217;&#190;   &#208; "&#217;&#190;   > 10 6E 22 D9 BE 01 00 00 D0 0F 22 D9 BE 01 00 00 
{278} normal block at 0x000001BED9226C30, 16 bytes long.
 Data: <&#224;s"&#217;&#190;           > E0 73 22 D9 BE 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001BED9226AF0, 16 bytes long.
 Data: <&#184;s"&#217;&#190;           > B8 73 22 D9 BE 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001BED9220310, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x000001BED9226460, 16 bytes long.
 Data: < s"&#217;&#190;           > 90 73 22 D9 BE 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001BED92203D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x000001BED9226F50, 16 bytes long.
 Data: <&#216;r"&#217;&#190;           > D8 72 22 D9 BE 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001BED9226640, 16 bytes long.
 Data: <&#176;r"&#217;&#190;           > B0 72 22 D9 BE 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001BED9226DC0, 16 bytes long.
 Data: < r"&#217;&#190;           > 88 72 22 D9 BE 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001BED9226D20, 16 bytes long.
 Data: <`r"&#217;&#190;           > 60 72 22 D9 BE 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001BED9226A00, 16 bytes long.
 Data: <8r"&#217;&#190;           > 38 72 22 D9 BE 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001BED9227130, 16 bytes long.
 Data: < r"&#217;&#190;           > 10 72 22 D9 BE 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001BED9226960, 16 bytes long.
 Data: <0["&#217;&#190;           > 30 5B 22 D9 BE 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001BED9225B30, 40 bytes long.
 Data: <`i"&#217;&#190;    &#207;&#231;&#218;&#190;   > 60 69 22 D9 BE 01 00 00 10 CF E7 DA BE 01 00 00 
{264} normal block at 0x000001BED9226CD0, 16 bytes long.
 Data: <&#240;q"&#217;&#190;           > F0 71 22 D9 BE 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001BED9226500, 16 bytes long.
 Data: <&#200;q"&#217;&#190;           > C8 71 22 D9 BE 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001BED9220250, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x000001BED9227040, 16 bytes long.
 Data: <&#160;q"&#217;&#190;           > A0 71 22 D9 BE 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001BED92271A0, 992 bytes long.
 Data: <@p"&#217;&#190;   P "&#217;&#190;   > 40 70 22 D9 BE 01 00 00 50 02 22 D9 BE 01 00 00 
{96} normal block at 0x000001BED9220F70, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x000001BED921FC50, 16 bytes long.
 Data: <p&#193; &#217;&#190;           > 70 C1 20 D9 BE 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000001BED920C170, 40 bytes long.
 Data: <P&#252;!&#217;&#190;   p "&#217;&#190;   > 50 FC 21 D9 BE 01 00 00 70 0F 22 D9 BE 01 00 00 
{73} normal block at 0x000001BED921F390, 16 bytes long.
 Data: < &#234;s&#154;&#247;           > 80 EA 73 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001BED921FC00, 16 bytes long.
 Data: <@&#233;s&#154;&#247;           > 40 E9 73 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001BED921F9D0, 16 bytes long.
 Data: <&#248;Wp&#154;&#247;           > F8 57 70 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001BED921FA70, 16 bytes long.
 Data: <&#216;Wp&#154;&#247;           > D8 57 70 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001BED921F0C0, 16 bytes long.
 Data: <P p&#154;&#247;           > 50 04 70 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001BED921F890, 16 bytes long.
 Data: <0 p&#154;&#247;           > 30 04 70 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001BED921F4D0, 16 bytes long.
 Data: <&#224; p&#154;&#247;           > E0 02 70 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001BED921FBB0, 16 bytes long.
 Data: <  p&#154;&#247;           > 10 04 70 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001BED921F430, 16 bytes long.
 Data: <p p&#154;&#247;           > 70 04 70 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001BED9220010, 16 bytes long.
 Data: < &#192;n&#154;&#247;           > 18 C0 6E 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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