Task 38689346

Name test_866-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND7219_0
Workunit 31630611
Created 28 Oct 2026, 20:20:02 UTC
Sent 28 Oct 2026, 20:20:05 UTC
Report deadline 2 Nov 2026, 20:20:05 UTC
Received 28 Oct 2026, 21:08:14 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 647500
Run time 21 min 19 sec
CPU time 15 min 45 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,481.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 762.87 MB
Peak swap size 11.53 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:49:24 (10348): wrapper (7.9.26016): starting
16:49:24 (10348): 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
16:49:25 (10348): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:49:25 (10348): 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\13\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\13\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
17:06:22 (10348): C:/Windows/system32/cmd.exe exited; CPU time 945.296875
17:06:22 (10348): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 20272207 bytes.
Dumping objects ->
{3835525} normal block at 0x000001CD96DA3E70, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835514} normal block at 0x000001CD96DA3E00, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835503} normal block at 0x000001CD96DA3FC0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835492} normal block at 0x000001CD96DA3D90, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835481} normal block at 0x000001CD96DA4420, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835450} normal block at 0x000001CD98AEADB0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835439} normal block at 0x000001CD96E09FD0, 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) : {3835436} normal block at 0x000001CD96D9F0E0, 8 bytes long.
 Data: <   &#151;&#205;   > 00 00 1B 97 CD 01 00 00 
{3834686} normal block at 0x000001CD96E096E0, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x000001CD96D9F950, 8 bytes long.
 Data: < &#234;&#159; &#205;   > 00 EA 9F 98 CD 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001CD96D96A80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001CD96D986F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000001CD96DA4F40, 16 bytes long.
 Data: < \&#218;&#150;&#205;           > 88 5C DA 96 CD 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001CD96DA4B80, 16 bytes long.
 Data: <`\&#218;&#150;&#205;           > 60 5C DA 96 CD 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001CD96DA0710, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000001CD96DA4B30, 16 bytes long.
 Data: <8\&#218;&#150;&#205;           > 38 5C DA 96 CD 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001CD96DA52B0, 16 bytes long.
 Data: < \&#218;&#150;&#205;           > 10 5C DA 96 CD 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001CD96DA4A40, 16 bytes long.
 Data: <&#232;[&#218;&#150;&#205;           > E8 5B DA 96 CD 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001CD96DA4EF0, 16 bytes long.
 Data: <&#192;[&#218;&#150;&#205;           > C0 5B DA 96 CD 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001CD96DA4260, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000001CD96DA4E50, 16 bytes long.
 Data: < &#174;&#217;&#150;&#205;           > 18 AE D9 96 CD 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001CD96DA0170, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000001CD96DA5080, 16 bytes long.
 Data: <&#240;&#173;&#217;&#150;&#205;           > F0 AD D9 96 CD 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001CD96DA5710, 16 bytes long.
 Data: <&#200;&#173;&#217;&#150;&#205;           > C8 AD D9 96 CD 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001CD96DA4FE0, 16 bytes long.
 Data: <&#160;&#173;&#217;&#150;&#205;           > A0 AD D9 96 CD 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001CD96DA51C0, 16 bytes long.
 Data: <x&#173;&#217;&#150;&#205;           > 78 AD D9 96 CD 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001CD96DA5260, 16 bytes long.
 Data: <P&#173;&#217;&#150;&#205;           > 50 AD D9 96 CD 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001CD96DA4EA0, 16 bytes long.
 Data: <(&#173;&#217;&#150;&#205;           > 28 AD D9 96 CD 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001CD96DA09B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000001CD96DA5030, 16 bytes long.
 Data: < &#173;&#217;&#150;&#205;           > 00 AD D9 96 CD 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001CD96D9AD00, 320 bytes long.
 Data: <0P&#218;&#150;&#205;   &#176;	&#218;&#150;&#205;   > 30 50 DA 96 CD 01 00 00 B0 09 DA 96 CD 01 00 00 
{274} normal block at 0x000001CD96DA4E00, 16 bytes long.
 Data: <&#160;[&#218;&#150;&#205;           > A0 5B DA 96 CD 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001CD96DA49A0, 16 bytes long.
 Data: <x[&#218;&#150;&#205;           > 78 5B DA 96 CD 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001CD96DA03B0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000001CD96DA5850, 16 bytes long.
 Data: <P[&#218;&#150;&#205;           > 50 5B DA 96 CD 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001CD96DA0470, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000001CD96DA5670, 16 bytes long.
 Data: < Z&#218;&#150;&#205;           > 98 5A DA 96 CD 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001CD96DA5580, 16 bytes long.
 Data: <pZ&#218;&#150;&#205;           > 70 5A DA 96 CD 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001CD96DA4DB0, 16 bytes long.
 Data: <HZ&#218;&#150;&#205;           > 48 5A DA 96 CD 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001CD96DA5620, 16 bytes long.
 Data: < Z&#218;&#150;&#205;           > 20 5A DA 96 CD 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001CD96DA55D0, 16 bytes long.
 Data: <&#248;Y&#218;&#150;&#205;           > F8 59 DA 96 CD 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001CD96DA54E0, 16 bytes long.
 Data: <&#208;Y&#218;&#150;&#205;           > D0 59 DA 96 CD 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001CD96DA4D60, 16 bytes long.
 Data: <&#160;@&#218;&#150;&#205;           > A0 40 DA 96 CD 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001CD96DA40A0, 40 bytes long.
 Data: <`M&#218;&#150;&#205;   &#176;&#173;&#174; &#205;   > 60 4D DA 96 CD 01 00 00 B0 AD AE 98 CD 01 00 00 
{260} normal block at 0x000001CD96DA5300, 16 bytes long.
 Data: <&#176;Y&#218;&#150;&#205;           > B0 59 DA 96 CD 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001CD96DA5440, 16 bytes long.
 Data: < Y&#218;&#150;&#205;           > 88 59 DA 96 CD 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001CD96D9FE70, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000001CD96DA56C0, 16 bytes long.
 Data: <`Y&#218;&#150;&#205;           > 60 59 DA 96 CD 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001CD96DA5960, 992 bytes long.
 Data: <&#192;V&#218;&#150;&#205;   p&#254;&#217;&#150;&#205;   > C0 56 DA 96 CD 01 00 00 70 FE D9 96 CD 01 00 00 
{92} normal block at 0x000001CD96DA0890, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000001CD96D9F810, 16 bytes long.
 Data: <p&#229;&#216;&#150;&#205;           > 70 E5 D8 96 CD 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001CD96D8E570, 40 bytes long.
 Data: < &#248;&#217;&#150;&#205;     &#218;&#150;&#205;   > 10 F8 D9 96 CD 01 00 00 90 08 DA 96 CD 01 00 00 
{69} normal block at 0x000001CD96D9FD10, 16 bytes long.
 Data: < &#234;&#195;&#150;&#246;           > 80 EA C3 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001CD96D9F3B0, 16 bytes long.
 Data: <@&#233;&#195;&#150;&#246;           > 40 E9 C3 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001CD96D9F680, 16 bytes long.
 Data: <&#248;W&#192;&#150;&#246;           > F8 57 C0 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001CD96D9FA40, 16 bytes long.
 Data: <&#216;W&#192;&#150;&#246;           > D8 57 C0 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001CD96D9F9F0, 16 bytes long.
 Data: <P &#192;&#150;&#246;           > 50 04 C0 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001CD96D9F310, 16 bytes long.
 Data: <0 &#192;&#150;&#246;           > 30 04 C0 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001CD96D9FB80, 16 bytes long.
 Data: <&#224; &#192;&#150;&#246;           > E0 02 C0 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001CD96D9F090, 16 bytes long.
 Data: <  &#192;&#150;&#246;           > 10 04 C0 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001CD96D9FCC0, 16 bytes long.
 Data: <p &#192;&#150;&#246;           > 70 04 C0 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001CD96D9F630, 16 bytes long.
 Data: < &#192;&#190;&#150;&#246;           > 18 C0 BE 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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