Task 38662319

Name test_938-GPUGRID_TEST_ATM_40STEP_20261023-5-40-RND4377_0
Workunit 31605583
Created 24 Oct 2026, 18:43:29 UTC
Sent 24 Oct 2026, 18:43:57 UTC
Report deadline 29 Oct 2026, 18:43:57 UTC
Received 24 Oct 2026, 21:07:12 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 593262
Run time 26 min 12 sec
CPU time 22 min 49 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 51,075.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 726.62 MB
Peak swap size 6.99 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:32:35 (2952): wrapper (7.9.26016): starting
21:32:35 (2952): 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
21:32:37 (2952): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:32:37 (2952): 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\2\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\2\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
21:57:38 (2952): C:/Windows/system32/cmd.exe exited; CPU time 1369.234375
21:57:38 (2952): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 30779036 bytes.
Dumping objects ->
{3835296} normal block at 0x000002106EB79660, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835285} normal block at 0x000002106EB78E80, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835274} normal block at 0x000002106EB78E10, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835263} normal block at 0x000002106EB78940, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835252} normal block at 0x000002106EB793C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835221} normal block at 0x00000210707DD460, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835210} normal block at 0x00000210707D5140, 85 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) : {3835207} normal block at 0x000002106EB4CBA0, 8 bytes long.
 Data: <  &#250;n    > 00 00 FA 6E 10 02 00 00 
{3834586} normal block at 0x00000210707D42E0, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833985} normal block at 0x000002106EB4D0F0, 8 bytes long.
 Data: < &#223;sp    > 90 DF 73 70 10 02 00 00 
..\zip\boinc_zip.cpp(122) : {324} normal block at 0x000002106EB50C00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x000002106EB48580, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{308} normal block at 0x000002106EB556F0, 16 bytes long.
 Data: <&#184;e&#181;n            > B8 65 B5 6E 10 02 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x000002106EB54ED0, 16 bytes long.
 Data: < e&#181;n            > 90 65 B5 6E 10 02 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x000002106EB4DDD0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{305} normal block at 0x000002106EB55830, 16 bytes long.
 Data: <he&#181;n            > 68 65 B5 6E 10 02 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x000002106EB55C40, 16 bytes long.
 Data: <@e&#181;n            > 40 65 B5 6E 10 02 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x000002106EB55CE0, 16 bytes long.
 Data: < e&#181;n            > 18 65 B5 6E 10 02 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000002106EB55790, 16 bytes long.
 Data: <&#240;d&#181;n            > F0 64 B5 6E 10 02 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000002106EB50560, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{300} normal block at 0x000002106EB556A0, 16 bytes long.
 Data: <&#232; &#180;n            > E8 02 B4 6E 10 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002106EB4DD10, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{298} normal block at 0x000002106EB55010, 16 bytes long.
 Data: <&#192; &#180;n            > C0 02 B4 6E 10 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002106EB55600, 16 bytes long.
 Data: <  &#180;n            > 98 02 B4 6E 10 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002106EB55060, 16 bytes long.
 Data: <p &#180;n            > 70 02 B4 6E 10 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002106EB55B50, 16 bytes long.
 Data: <H &#180;n            > 48 02 B4 6E 10 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002106EB554C0, 16 bytes long.
 Data: <  &#180;n            > 20 02 B4 6E 10 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002106EB55560, 16 bytes long.
 Data: <&#248; &#180;n            > F8 01 B4 6E 10 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002106EB4E190, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{290} normal block at 0x000002106EB55150, 16 bytes long.
 Data: <&#208; &#180;n            > D0 01 B4 6E 10 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002106EB401D0, 320 bytes long.
 Data: <PQ&#181;n     &#225;&#180;n    > 50 51 B5 6E 10 02 00 00 90 E1 B4 6E 10 02 00 00 
{288} normal block at 0x000002106EB55380, 16 bytes long.
 Data: <&#208;d&#181;n            > D0 64 B5 6E 10 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002106EB555B0, 16 bytes long.
 Data: <&#168;d&#181;n            > A8 64 B5 6E 10 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002106EB4E250, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{285} normal block at 0x000002106EB55650, 16 bytes long.
 Data: < d&#181;n            > 80 64 B5 6E 10 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002106EB4DF50, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{283} normal block at 0x000002106EB557E0, 16 bytes long.
 Data: <&#200;c&#181;n            > C8 63 B5 6E 10 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002106EB54F70, 16 bytes long.
 Data: <&#160;c&#181;n            > A0 63 B5 6E 10 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002106EB55B00, 16 bytes long.
 Data: <xc&#181;n            > 78 63 B5 6E 10 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002106EB55C90, 16 bytes long.
 Data: <Pc&#181;n            > 50 63 B5 6E 10 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002106EB55330, 16 bytes long.
 Data: <(c&#181;n            > 28 63 B5 6E 10 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002106EB55470, 16 bytes long.
 Data: < c&#181;n            > 00 63 B5 6E 10 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002106EB55880, 16 bytes long.
 Data: <p &#181;n            > 70 08 B5 6E 10 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002106EB50870, 40 bytes long.
 Data: < X&#181;n    `&#212;}p    > 80 58 B5 6E 10 02 00 00 60 D4 7D 70 10 02 00 00 
{274} normal block at 0x000002106EB55A10, 16 bytes long.
 Data: <&#224;b&#181;n            > E0 62 B5 6E 10 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002106EB54FC0, 16 bytes long.
 Data: <&#184;b&#181;n            > B8 62 B5 6E 10 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002106EB4DCB0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{271} normal block at 0x000002106EB55420, 16 bytes long.
 Data: < b&#181;n            > 90 62 B5 6E 10 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002106EB56290, 992 bytes long.
 Data: < T&#181;n    &#176;&#220;&#180;n    > 20 54 B5 6E 10 02 00 00 B0 DC B4 6E 10 02 00 00 
{106} normal block at 0x000002106EB4E610, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{105} normal block at 0x000002106EB4CD30, 16 bytes long.
 Data: <&#176; &#181;n            > B0 06 B5 6E 10 02 00 00 00 00 00 00 00 00 00 00 
{104} normal block at 0x000002106EB506B0, 40 bytes long.
 Data: <0&#205;&#180;n     &#230;&#180;n    > 30 CD B4 6E 10 02 00 00 10 E6 B4 6E 10 02 00 00 
{83} normal block at 0x000002106EB4D7D0, 16 bytes long.
 Data: < &#234;'i&#247;           > 80 EA 27 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x000002106EB4D640, 16 bytes long.
 Data: <@&#233;'i&#247;           > 40 E9 27 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x000002106EB4D730, 16 bytes long.
 Data: <&#248;W$i&#247;           > F8 57 24 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x000002106EB4CC40, 16 bytes long.
 Data: <&#216;W$i&#247;           > D8 57 24 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x000002106EB4CB50, 16 bytes long.
 Data: <P $i&#247;           > 50 04 24 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x000002106EB4CAB0, 16 bytes long.
 Data: <0 $i&#247;           > 30 04 24 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x000002106EB4C9C0, 16 bytes long.
 Data: <&#224; $i&#247;           > E0 02 24 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x000002106EB4D5A0, 16 bytes long.
 Data: <  $i&#247;           > 10 04 24 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000002106EB4C970, 16 bytes long.
 Data: <p $i&#247;           > 70 04 24 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000002106EB4D000, 16 bytes long.
 Data: < &#192;"i&#247;           > 18 C0 22 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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