Task 38677413

Name test_795-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND8987_0
Workunit 31619286
Created 26 Oct 2026, 14:18:07 UTC
Sent 26 Oct 2026, 14:18:18 UTC
Report deadline 31 Oct 2026, 14:18:18 UTC
Received 26 Oct 2026, 15:03:05 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 609955
Run time 37 min 6 sec
CPU time 30 min 35 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 22,590.50 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 755.46 MB
Peak swap size 9.94 GB
Peak disk usage 4.09 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
23:29:33 (17512): wrapper (7.9.26016): starting
23:29:33 (17512): 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
23:29:35 (17512): Library/usr/bin/tar.exe exited; CPU time 0.015625
23:29:35 (17512): 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:\BOINC\slots\18\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:\BOINC\slots\18\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
00:00:38 (17512): C:/Windows/system32/cmd.exe exited; CPU time 1835.687500
00:00:38 (17512): called boinc_finish(0)
0 bytes in 0 Free Blocks.
456 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: 35817765 bytes.
Dumping objects ->
{3835578} normal block at 0x0000024DEBC651B0, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835567} normal block at 0x0000024DEDD36C80, 32 bytes long.
 Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835556} normal block at 0x0000024DEDD363E0, 32 bytes long.
 Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835545} normal block at 0x0000024DEDD36CE0, 32 bytes long.
 Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835534} normal block at 0x0000024DEDD35F60, 32 bytes long.
 Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C 
{3835503} normal block at 0x0000024DEBC65610, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835492} normal block at 0x0000024DEBCBDB80, 140 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) : {3835489} normal block at 0x0000024DEBC5F6B0, 8 bytes long.
 Data: <    M   > 00 00 03 EC 4D 02 00 00 
{3834767} normal block at 0x0000024DEBCBD020, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834069} normal block at 0x0000024DEBC5EA30, 8 bytes long.
 Data: <`K&#198; M   > 60 4B C6 EB 4D 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000024DEBC56F10, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000024DEBC57830, 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 0x0000024DEBC66B90, 16 bytes long.
 Data: <&#216;s&#198; M           > D8 73 C6 EB 4D 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000024DEBC661E0, 16 bytes long.
 Data: <&#176;s&#198; M           > B0 73 C6 EB 4D 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000024DEBC614D0, 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 0x0000024DEBC66AA0, 16 bytes long.
 Data: < s&#198; M           > 88 73 C6 EB 4D 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000024DEBC66B40, 16 bytes long.
 Data: <`s&#198; M           > 60 73 C6 EB 4D 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000024DEBC66F00, 16 bytes long.
 Data: <8s&#198; M           > 38 73 C6 EB 4D 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000024DEBC66AF0, 16 bytes long.
 Data: < s&#198; M           > 10 73 C6 EB 4D 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000024DEBC65450, 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 0x0000024DEBC66960, 16 bytes long.
 Data: <&#216;&#190;&#196; M           > D8 BE C4 EB 4D 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000024DEBC617D0, 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 0x0000024DEBC66EB0, 16 bytes long.
 Data: <&#176;&#190;&#196; M           > B0 BE C4 EB 4D 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000024DEBC66E60, 16 bytes long.
 Data: < &#190;&#196; M           > 88 BE C4 EB 4D 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000024DEBC66FF0, 16 bytes long.
 Data: <`&#190;&#196; M           > 60 BE C4 EB 4D 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000024DEBC66E10, 16 bytes long.
 Data: <8&#190;&#196; M           > 38 BE C4 EB 4D 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000024DEBC66320, 16 bytes long.
 Data: < &#190;&#196; M           > 10 BE C4 EB 4D 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000024DEBC66640, 16 bytes long.
 Data: < &#189;&#196; M           > E8 BD C4 EB 4D 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000024DEBC61650, 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 0x0000024DEBC66910, 16 bytes long.
 Data: <&#192;&#189;&#196; M           > C0 BD C4 EB 4D 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000024DEBC4BDC0, 320 bytes long.
 Data: < i&#198; M   P &#198; M   > 10 69 C6 EB 4D 02 00 00 50 16 C6 EB 4D 02 00 00 
{279} normal block at 0x0000024DEBC66550, 16 bytes long.
 Data: < r&#198; M           > F0 72 C6 EB 4D 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000024DEBC663C0, 16 bytes long.
 Data: <&#200;r&#198; M           > C8 72 C6 EB 4D 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000024DEBC619B0, 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 0x0000024DEBC66C80, 16 bytes long.
 Data: < r&#198; M           > A0 72 C6 EB 4D 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000024DEBC61770, 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 0x0000024DEBC66870, 16 bytes long.
 Data: < q&#198; M           > E8 71 C6 EB 4D 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000024DEBC66C30, 16 bytes long.
 Data: <&#192;q&#198; M           > C0 71 C6 EB 4D 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000024DEBC67040, 16 bytes long.
 Data: < q&#198; M           > 98 71 C6 EB 4D 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000024DEBC665F0, 16 bytes long.
 Data: <pq&#198; M           > 70 71 C6 EB 4D 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000024DEBC66230, 16 bytes long.
 Data: <Hq&#198; M           > 48 71 C6 EB 4D 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000024DEBC66DC0, 16 bytes long.
 Data: < q&#198; M           > 20 71 C6 EB 4D 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000024DEBC66820, 16 bytes long.
 Data: < S&#198; M           > E0 53 C6 EB 4D 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000024DEBC653E0, 40 bytes long.
 Data: < h&#198; M    V&#198; M   > 20 68 C6 EB 4D 02 00 00 10 56 C6 EB 4D 02 00 00 
{265} normal block at 0x0000024DEBC665A0, 16 bytes long.
 Data: < q&#198; M           > 00 71 C6 EB 4D 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000024DEBC66370, 16 bytes long.
 Data: <&#216;p&#198; M           > D8 70 C6 EB 4D 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000024DEBC60CF0, 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 0x0000024DEBC66FA0, 16 bytes long.
 Data: <&#176;p&#198; M           > B0 70 C6 EB 4D 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000024DEBC670B0, 992 bytes long.
 Data: < o&#198; M     &#198; M   > A0 6F C6 EB 4D 02 00 00 F0 0C C6 EB 4D 02 00 00 
{97} normal block at 0x0000024DEBC60F90, 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 0x0000024DEBC5F610, 16 bytes long.
 Data: <P&#203;&#196; M           > 50 CB C4 EB 4D 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x0000024DEBC4CB50, 40 bytes long.
 Data: <  &#197; M     &#198; M   > 10 F6 C5 EB 4D 02 00 00 90 0F C6 EB 4D 02 00 00 
{72} normal block at 0x0000024DEBC5ECB0, 16 bytes long.
 Data: <   &#215;            > 80 EA 94 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000024DEBC5F200, 16 bytes long.
 Data: <@  &#215;            > 40 E9 94 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000024DEBC5F8E0, 16 bytes long.
 Data: < W &#215;            > F8 57 91 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000024DEBC5F840, 16 bytes long.
 Data: <&#216;W &#215;            > D8 57 91 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000024DEBC5F250, 16 bytes long.
 Data: <P  &#215;            > 50 04 91 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000024DEBC5F750, 16 bytes long.
 Data: <0  &#215;            > 30 04 91 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000024DEBC5F890, 16 bytes long.
 Data: <   &#215;            > E0 02 91 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000024DEBC5F4D0, 16 bytes long.
 Data: <   &#215;            > 10 04 91 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000024DEBC5ED00, 16 bytes long.
 Data: <p  &#215;            > 70 04 91 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000024DEBC5F7F0, 16 bytes long.
 Data: < &#192; &#215;            > 18 C0 8F D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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