Task 38689552

Name test_270-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND8481_0
Workunit 31630795
Created 28 Oct 2026, 21:41:52 UTC
Sent 28 Oct 2026, 21:41:54 UTC
Report deadline 2 Nov 2026, 21:41:54 UTC
Received 28 Oct 2026, 22:15:11 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648117
Run time 19 min 11 sec
CPU time 17 min 42 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 32,121.39 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 712.59 MB
Peak swap size 6.96 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:55:29 (37808): wrapper (7.9.26016): starting
22:55:29 (37808): 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
22:55:30 (37808): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:55:30 (37808): 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 'E:\BOINC\data\slots\1\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 'E:\BOINC\data\slots\1\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
23:13:33 (37808): C:/Windows/system32/cmd.exe exited; CPU time 1062.437500
23:13:33 (37808): called boinc_finish(0)
0 bytes in 0 Free Blocks.
380 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: 25951399 bytes.
Dumping objects ->
{3835311} normal block at 0x0000023BC6EDD030, 48 bytes long.
 Data: <PATH=E:\BOINC\da> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835300} normal block at 0x0000023BC8C37060, 32 bytes long.
 Data: <HOME=E:\BOINC\da> 48 4F 4D 45 3D 45 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835289} normal block at 0x0000023BC8C38620, 32 bytes long.
 Data: <TMP=E:\BOINC\dat> 54 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 64 61 74 
{3835278} normal block at 0x0000023BC8C37A20, 32 bytes long.
 Data: <TEMP=E:\BOINC\da> 54 45 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835267} normal block at 0x0000023BC8C38260, 32 bytes long.
 Data: <TMPDIR=E:\BOINC\> 54 4D 50 44 49 52 3D 45 3A 5C 42 4F 49 4E 43 5C 
{3835236} normal block at 0x0000023BC6EDD6C0, 48 bytes long.
 Data: <PATH=E:\BOINC\da> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835225} normal block at 0x0000023BC8C001A0, 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) : {3835222} normal block at 0x0000023BC6EAF690, 8 bytes long.
 Data: <  O&#199;;   > 00 00 4F C7 3B 02 00 00 
{3834590} normal block at 0x0000023BC8C00CA0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833977} normal block at 0x0000023BC6EAFF00, 8 bytes long.
 Data: <Pj&#199;&#200;;   > 50 6A C7 C8 3B 02 00 00 
..\zip\boinc_zip.cpp(122) : {320} normal block at 0x0000023BC6EA8950, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x0000023BC6EA0310, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{304} normal block at 0x0000023BC6EB7D10, 16 bytes long.
 Data: <H &#235;&#198;;           > 48 81 EB C6 3B 02 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x0000023BC6EB7630, 16 bytes long.
 Data: <  &#235;&#198;;           > 20 81 EB C6 3B 02 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000023BC6EB1850, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{301} normal block at 0x0000023BC6EB72C0, 16 bytes long.
 Data: <&#248; &#235;&#198;;           > F8 80 EB C6 3B 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000023BC6EB7950, 16 bytes long.
 Data: <&#208; &#235;&#198;;           > D0 80 EB C6 3B 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000023BC6EB7450, 16 bytes long.
 Data: <&#168; &#235;&#198;;           > A8 80 EB C6 3B 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000023BC6EB7130, 16 bytes long.
 Data: <  &#235;&#198;;           > 80 80 EB C6 3B 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000023BC6EB55A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{296} normal block at 0x0000023BC6EB7090, 16 bytes long.
 Data: <H$&#234;&#198;;           > 48 24 EA C6 3B 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000023BC6EB2210, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{294} normal block at 0x0000023BC6EB70E0, 16 bytes long.
 Data: < $&#234;&#198;;           > 20 24 EA C6 3B 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000023BC6EB7040, 16 bytes long.
 Data: <&#248;#&#234;&#198;;           > F8 23 EA C6 3B 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000023BC6EB75E0, 16 bytes long.
 Data: <&#208;#&#234;&#198;;           > D0 23 EA C6 3B 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000023BC6EB7310, 16 bytes long.
 Data: <&#168;#&#234;&#198;;           > A8 23 EA C6 3B 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000023BC6EB73B0, 16 bytes long.
 Data: < #&#234;&#198;;           > 80 23 EA C6 3B 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000023BC6EB74A0, 16 bytes long.
 Data: <X#&#234;&#198;;           > 58 23 EA C6 3B 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000023BC6EB17F0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{286} normal block at 0x0000023BC6EB7CC0, 16 bytes long.
 Data: <0#&#234;&#198;;           > 30 23 EA C6 3B 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000023BC6EA2330, 320 bytes long.
 Data: <&#192;|&#235;&#198;;   &#240; &#235;&#198;;   > C0 7C EB C6 3B 02 00 00 F0 17 EB C6 3B 02 00 00 
{284} normal block at 0x0000023BC6EB7540, 16 bytes long.
 Data: <` &#235;&#198;;           > 60 80 EB C6 3B 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000023BC6EB7C70, 16 bytes long.
 Data: <8 &#235;&#198;;           > 38 80 EB C6 3B 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000023BC6EB1F70, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{281} normal block at 0x0000023BC6EB7400, 16 bytes long.
 Data: <  &#235;&#198;;           > 10 80 EB C6 3B 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000023BC6EB1F10, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{279} normal block at 0x0000023BC6EB7A90, 16 bytes long.
 Data: <X &#235;&#198;;           > 58 7F EB C6 3B 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000023BC6EB6F00, 16 bytes long.
 Data: <0 &#235;&#198;;           > 30 7F EB C6 3B 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000023BC6EB7360, 16 bytes long.
 Data: <  &#235;&#198;;           > 08 7F EB C6 3B 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000023BC6EB7810, 16 bytes long.
 Data: <&#224;~&#235;&#198;;           > E0 7E EB C6 3B 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000023BC6EB7220, 16 bytes long.
 Data: <&#184;~&#235;&#198;;           > B8 7E EB C6 3B 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000023BC6EB6FA0, 16 bytes long.
 Data: < ~&#235;&#198;;           > 90 7E EB C6 3B 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000023BC6EB7C20, 16 bytes long.
 Data: <pZ&#235;&#198;;           > 70 5A EB C6 3B 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000023BC6EB5A70, 40 bytes long.
 Data: < |&#235;&#198;;   &#192;&#214;&#237;&#198;;   > 20 7C EB C6 3B 02 00 00 C0 D6 ED C6 3B 02 00 00 
{270} normal block at 0x0000023BC6EB7B30, 16 bytes long.
 Data: <p~&#235;&#198;;           > 70 7E EB C6 3B 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000023BC6EB7A40, 16 bytes long.
 Data: <H~&#235;&#198;;           > 48 7E EB C6 3B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000023BC6EB1D90, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{267} normal block at 0x0000023BC6EB7AE0, 16 bytes long.
 Data: < ~&#235;&#198;;           > 20 7E EB C6 3B 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000023BC6EB7E20, 992 bytes long.
 Data: <&#224;z&#235;&#198;;     &#235;&#198;;   > E0 7A EB C6 3B 02 00 00 90 1D EB C6 3B 02 00 00 
{102} normal block at 0x0000023BC6EB1E50, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{101} normal block at 0x0000023BC6EAFE10, 16 bytes long.
 Data: < Y&#235;&#198;;           > 90 59 EB C6 3B 02 00 00 00 00 00 00 00 00 00 00 
{100} normal block at 0x0000023BC6EB5990, 40 bytes long.
 Data: < &#254;&#234;&#198;;   P &#235;&#198;;   > 10 FE EA C6 3B 02 00 00 50 1E EB C6 3B 02 00 00 
{79} normal block at 0x0000023BC6EAF780, 16 bytes long.
 Data: < &#234;>}&#246;           > 80 EA 3E 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x0000023BC6EB0270, 16 bytes long.
 Data: <@&#233;>}&#246;           > 40 E9 3E 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x0000023BC6EAFD70, 16 bytes long.
 Data: <&#248;W;}&#246;           > F8 57 3B 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x0000023BC6EB0310, 16 bytes long.
 Data: <&#216;W;}&#246;           > D8 57 3B 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x0000023BC6EAFC80, 16 bytes long.
 Data: <P ;}&#246;           > 50 04 3B 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000023BC6EAFD20, 16 bytes long.
 Data: <0 ;}&#246;           > 30 04 3B 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000023BC6EB00E0, 16 bytes long.
 Data: <&#224; ;}&#246;           > E0 02 3B 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000023BC6EAFB90, 16 bytes long.
 Data: <  ;}&#246;           > 10 04 3B 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000023BC6EAFC30, 16 bytes long.
 Data: <p ;}&#246;           > 70 04 3B 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000023BC6EB0400, 16 bytes long.
 Data: < &#192;9}&#246;           > 18 C0 39 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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