Task 38668563

Name test_719-GPUGRID_TEST_ATM_40STEP_20261023-9-40-RND6674_0
Workunit 31611055
Created 25 Oct 2026, 12:07:47 UTC
Sent 25 Oct 2026, 12:08:08 UTC
Report deadline 30 Oct 2026, 12:08:08 UTC
Received 25 Oct 2026, 12:40:38 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652843
Run time 25 min 33 sec
CPU time 24 min 42 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 22,198.82 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 743.34 MB
Peak swap size 12.93 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:15:25 (5128): wrapper (7.9.26016): starting
07:15:25 (5128): 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
07:15:26 (5128): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:15:26 (5128): 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
07:40:17 (5128): C:/Windows/system32/cmd.exe exited; CPU time 1482.968750
07:40:17 (5128): 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: 23277341 bytes.
Dumping objects ->
{3835550} normal block at 0x000001DAC3E95FB0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835539} normal block at 0x000001DAC3E95D80, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835528} normal block at 0x000001DAC3E96250, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835517} normal block at 0x000001DAC3E95ED0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835506} normal block at 0x000001DAC3E961E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835475} normal block at 0x000001DAC5C4C890, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835464} normal block at 0x000001DAC5CAE1B0, 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) : {3835461} normal block at 0x000001DAC3E901F0, 8 bytes long.
 Data: <  &#227;&#195;&#218;   > 00 00 E3 C3 DA 01 00 00 
{3834683} normal block at 0x000001DAC5CAE310, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x000001DAC3E90010, 8 bytes long.
 Data: <&#240;w&#206;&#197;&#218;   > F0 77 CE C5 DA 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001DAC3E7F300, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001DAC3E86FA0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x000001DAC3E95080, 16 bytes long.
 Data: <8\&#233;&#195;&#218;           > 38 5C E9 C3 DA 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001DAC3E95800, 16 bytes long.
 Data: < \&#233;&#195;&#218;           > 10 5C E9 C3 DA 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001DAC3E905A0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x000001DAC3E952B0, 16 bytes long.
 Data: <&#232;[&#233;&#195;&#218;           > E8 5B E9 C3 DA 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001DAC3E95490, 16 bytes long.
 Data: <&#192;[&#233;&#195;&#218;           > C0 5B E9 C3 DA 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001DAC3E949F0, 16 bytes long.
 Data: < [&#233;&#195;&#218;           > 98 5B E9 C3 DA 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001DAC3E95850, 16 bytes long.
 Data: <p[&#233;&#195;&#218;           > 70 5B E9 C3 DA 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001DAC3E96410, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x000001DAC3E95440, 16 bytes long.
 Data: <( &#232;&#195;&#218;           > 28 01 E8 C3 DA 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001DAC3E90DE0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x000001DAC3E94C70, 16 bytes long.
 Data: <  &#232;&#195;&#218;           > 00 01 E8 C3 DA 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001DAC3E95620, 16 bytes long.
 Data: <&#216; &#232;&#195;&#218;           > D8 00 E8 C3 DA 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001DAC3E94A90, 16 bytes long.
 Data: <&#176; &#232;&#195;&#218;           > B0 00 E8 C3 DA 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001DAC3E94C20, 16 bytes long.
 Data: <  &#232;&#195;&#218;           > 88 00 E8 C3 DA 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001DAC3E94EA0, 16 bytes long.
 Data: <` &#232;&#195;&#218;           > 60 00 E8 C3 DA 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001DAC3E953F0, 16 bytes long.
 Data: <8 &#232;&#195;&#218;           > 38 00 E8 C3 DA 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001DAC3E90F60, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x000001DAC3E95710, 16 bytes long.
 Data: <  &#232;&#195;&#218;           > 10 00 E8 C3 DA 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001DAC3E80010, 320 bytes long.
 Data: < W&#233;&#195;&#218;   ` &#233;&#195;&#218;   > 10 57 E9 C3 DA 01 00 00 60 0F E9 C3 DA 01 00 00 
{273} normal block at 0x000001DAC3E94BD0, 16 bytes long.
 Data: <P[&#233;&#195;&#218;           > 50 5B E9 C3 DA 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001DAC3E95530, 16 bytes long.
 Data: <([&#233;&#195;&#218;           > 28 5B E9 C3 DA 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001DAC3E91080, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x000001DAC3E957B0, 16 bytes long.
 Data: < [&#233;&#195;&#218;           > 00 5B E9 C3 DA 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001DAC3E906C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x000001DAC3E94D60, 16 bytes long.
 Data: <HZ&#233;&#195;&#218;           > 48 5A E9 C3 DA 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001DAC3E94B80, 16 bytes long.
 Data: < Z&#233;&#195;&#218;           > 20 5A E9 C3 DA 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001DAC3E95760, 16 bytes long.
 Data: <&#248;Y&#233;&#195;&#218;           > F8 59 E9 C3 DA 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001DAC3E94EF0, 16 bytes long.
 Data: <&#208;Y&#233;&#195;&#218;           > D0 59 E9 C3 DA 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001DAC3E949A0, 16 bytes long.
 Data: <&#168;Y&#233;&#195;&#218;           > A8 59 E9 C3 DA 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001DAC3E953A0, 16 bytes long.
 Data: < Y&#233;&#195;&#218;           > 80 59 E9 C3 DA 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001DAC3E94950, 16 bytes long.
 Data: <`&#210;&#231;&#195;&#218;           > 60 D2 E7 C3 DA 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001DAC3E7D260, 40 bytes long.
 Data: <PI&#233;&#195;&#218;    &#200;&#196;&#197;&#218;   > 50 49 E9 C3 DA 01 00 00 90 C8 C4 C5 DA 01 00 00 
{259} normal block at 0x000001DAC3E954E0, 16 bytes long.
 Data: <`Y&#233;&#195;&#218;           > 60 59 E9 C3 DA 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001DAC3E95260, 16 bytes long.
 Data: <8Y&#233;&#195;&#218;           > 38 59 E9 C3 DA 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001DAC3E91020, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x000001DAC3E94A40, 16 bytes long.
 Data: < Y&#233;&#195;&#218;           > 10 59 E9 C3 DA 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001DAC3E95910, 992 bytes long.
 Data: <@J&#233;&#195;&#218;     &#233;&#195;&#218;   > 40 4A E9 C3 DA 01 00 00 20 10 E9 C3 DA 01 00 00 
{91} normal block at 0x000001DAC3E90CC0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x000001DAC3E901A0, 16 bytes long.
 Data: <&#208;&#243;&#232;&#195;&#218;           > D0 F3 E8 C3 DA 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000001DAC3E8F3D0, 40 bytes long.
 Data: <&#160; &#233;&#195;&#218;   &#192; &#233;&#195;&#218;   > A0 01 E9 C3 DA 01 00 00 C0 0C E9 C3 DA 01 00 00 
{68} normal block at 0x000001DAC3E8F610, 16 bytes long.
 Data: < &#234;2&#181;&#246;           > 80 EA 32 B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001DAC3E8F520, 16 bytes long.
 Data: <@&#233;2&#181;&#246;           > 40 E9 32 B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001DAC3E8FA20, 16 bytes long.
 Data: <&#248;W/&#181;&#246;           > F8 57 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001DAC3E8FE80, 16 bytes long.
 Data: <&#216;W/&#181;&#246;           > D8 57 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001DAC3E8F660, 16 bytes long.
 Data: <P /&#181;&#246;           > 50 04 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001DAC3E900B0, 16 bytes long.
 Data: <0 /&#181;&#246;           > 30 04 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001DAC3E8F7F0, 16 bytes long.
 Data: <&#224; /&#181;&#246;           > E0 02 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001DAC3E8FE30, 16 bytes long.
 Data: <  /&#181;&#246;           > 10 04 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001DAC3E8F9D0, 16 bytes long.
 Data: <p /&#181;&#246;           > 70 04 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001DAC3E8F930, 16 bytes long.
 Data: < &#192;-&#181;&#246;           > 18 C0 2D B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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