Task 38671955

Name test_902-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND5885_0
Workunit 31614133
Created 25 Oct 2026, 22:02:32 UTC
Sent 25 Oct 2026, 22:02:37 UTC
Report deadline 30 Oct 2026, 22:02:37 UTC
Received 25 Oct 2026, 22:46:50 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 610797
Run time 15 min 5 sec
CPU time 13 min 52 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 56,774.19 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 764.53 MB
Peak swap size 13.05 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
23:31:53 (17052): wrapper (7.9.26016): starting
23:31:53 (17052): 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
23:31:54 (17052): Library/usr/bin/tar.exe exited; CPU time 0.015625
23:31:54 (17052): 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:\DataBOINC\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:\DataBOINC\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
23:46:23 (17052): C:/Windows/system32/cmd.exe exited; CPU time 832.343750
23:46:23 (17052): 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: 14126889 bytes.
Dumping objects ->
{3835610} normal block at 0x000001C6CA766330, 48 bytes long.
 Data: <PATH=C:\DataBOIN> 50 41 54 48 3D 43 3A 5C 44 61 74 61 42 4F 49 4E 
{3835599} normal block at 0x000001C6CC4825F0, 32 bytes long.
 Data: <HOME=C:\DataBOIN> 48 4F 4D 45 3D 43 3A 5C 44 61 74 61 42 4F 49 4E 
{3835588} normal block at 0x000001C6CC482CB0, 32 bytes long.
 Data: <TMP=C:\DataBOINC> 54 4D 50 3D 43 3A 5C 44 61 74 61 42 4F 49 4E 43 
{3835577} normal block at 0x000001C6CC482470, 32 bytes long.
 Data: <TEMP=C:\DataBOIN> 54 45 4D 50 3D 43 3A 5C 44 61 74 61 42 4F 49 4E 
{3835566} normal block at 0x000001C6CC4837F0, 32 bytes long.
 Data: <TMPDIR=C:\DataBO> 54 4D 50 44 49 52 3D 43 3A 5C 44 61 74 61 42 4F 
{3835535} normal block at 0x000001C6CA766250, 48 bytes long.
 Data: <PATH=C:\DataBOIN> 50 41 54 48 3D 43 3A 5C 44 61 74 61 42 4F 49 4E 
{3835524} normal block at 0x000001C6CC4506F0, 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) : {3835521} normal block at 0x000001C6CA75E930, 8 bytes long.
 Data: <  &#196;&#202;&#198;   > 00 00 C4 CA C6 01 00 00 
{3834715} normal block at 0x000001C6CC450010, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x000001C6CA75E7A0, 8 bytes long.
 Data: < Zv&#202;&#198;   > 10 5A 76 CA C6 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001C6CA762450, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001C6CA757400, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000001C6CA767890, 16 bytes long.
 Data: <&#200;|v&#202;&#198;           > C8 7C 76 CA C6 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001C6CA766A80, 16 bytes long.
 Data: <&#160;|v&#202;&#198;           > A0 7C 76 CA C6 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001C6CA760990, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000001C6CA767160, 16 bytes long.
 Data: <x|v&#202;&#198;           > 78 7C 76 CA C6 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001C6CA7669E0, 16 bytes long.
 Data: <P|v&#202;&#198;           > 50 7C 76 CA C6 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001C6CA7672A0, 16 bytes long.
 Data: <(|v&#202;&#198;           > 28 7C 76 CA C6 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001C6CA767610, 16 bytes long.
 Data: < |v&#202;&#198;           > 00 7C 76 CA C6 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001C6CA7661E0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000001C6CA766CB0, 16 bytes long.
 Data: <&#216;&#185;t&#202;&#198;           > D8 B9 74 CA C6 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001C6CA7604B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000001C6CA7675C0, 16 bytes long.
 Data: <&#176;&#185;t&#202;&#198;           > B0 B9 74 CA C6 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001C6CA766C60, 16 bytes long.
 Data: < &#185;t&#202;&#198;           > 88 B9 74 CA C6 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001C6CA7674D0, 16 bytes long.
 Data: <`&#185;t&#202;&#198;           > 60 B9 74 CA C6 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001C6CA767480, 16 bytes long.
 Data: <8&#185;t&#202;&#198;           > 38 B9 74 CA C6 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001C6CA767250, 16 bytes long.
 Data: < &#185;t&#202;&#198;           > 10 B9 74 CA C6 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001C6CA767430, 16 bytes long.
 Data: <&#232;&#184;t&#202;&#198;           > E8 B8 74 CA C6 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001C6CA7607B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000001C6CA7677A0, 16 bytes long.
 Data: <&#192;&#184;t&#202;&#198;           > C0 B8 74 CA C6 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001C6CA74B8C0, 320 bytes long.
 Data: <&#160;wv&#202;&#198;   &#176; v&#202;&#198;   > A0 77 76 CA C6 01 00 00 B0 07 76 CA C6 01 00 00 
{276} normal block at 0x000001C6CA767570, 16 bytes long.
 Data: <&#224;{v&#202;&#198;           > E0 7B 76 CA C6 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001C6CA766C10, 16 bytes long.
 Data: <&#184;{v&#202;&#198;           > B8 7B 76 CA C6 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001C6CA7609F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000001C6CA766AD0, 16 bytes long.
 Data: < {v&#202;&#198;           > 90 7B 76 CA C6 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001C6CA760ED0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000001C6CA7672F0, 16 bytes long.
 Data: <&#216;zv&#202;&#198;           > D8 7A 76 CA C6 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001C6CA767200, 16 bytes long.
 Data: <&#176;zv&#202;&#198;           > B0 7A 76 CA C6 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001C6CA7673E0, 16 bytes long.
 Data: < zv&#202;&#198;           > 88 7A 76 CA C6 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001C6CA767070, 16 bytes long.
 Data: <`zv&#202;&#198;           > 60 7A 76 CA C6 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001C6CA767750, 16 bytes long.
 Data: <8zv&#202;&#198;           > 38 7A 76 CA C6 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001C6CA767520, 16 bytes long.
 Data: < zv&#202;&#198;           > 10 7A 76 CA C6 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001C6CA767340, 16 bytes long.
 Data: < av&#202;&#198;           > 00 61 76 CA C6 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001C6CA766100, 40 bytes long.
 Data: <@sv&#202;&#198;   Pbv&#202;&#198;   > 40 73 76 CA C6 01 00 00 50 62 76 CA C6 01 00 00 
{262} normal block at 0x000001C6CA767840, 16 bytes long.
 Data: <&#240;yv&#202;&#198;           > F0 79 76 CA C6 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001C6CA7670C0, 16 bytes long.
 Data: <&#200;yv&#202;&#198;           > C8 79 76 CA C6 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001C6CA760AB0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000001C6CA766B70, 16 bytes long.
 Data: <&#160;yv&#202;&#198;           > A0 79 76 CA C6 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001C6CA7679A0, 992 bytes long.
 Data: <pkv&#202;&#198;   &#176; v&#202;&#198;   > 70 6B 76 CA C6 01 00 00 B0 0A 76 CA C6 01 00 00 
{94} normal block at 0x000001C6CA760450, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000001C6CA75EDE0, 16 bytes long.
 Data: <&#224;&#197;t&#202;&#198;           > E0 C5 74 CA C6 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001C6CA74C5E0, 40 bytes long.
 Data: <&#224;&#237;u&#202;&#198;   P v&#202;&#198;   > E0 ED 75 CA C6 01 00 00 50 04 76 CA C6 01 00 00 
{71} normal block at 0x000001C6CA75EB10, 16 bytes long.
 Data: < &#234;>7&#246;           > 80 EA 3E 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001C6CA75E750, 16 bytes long.
 Data: <@&#233;>7&#246;           > 40 E9 3E 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001C6CA75ED40, 16 bytes long.
 Data: <&#248;W;7&#246;           > F8 57 3B 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001C6CA75ECF0, 16 bytes long.
 Data: <&#216;W;7&#246;           > D8 57 3B 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001C6CA75ECA0, 16 bytes long.
 Data: <P ;7&#246;           > 50 04 3B 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001C6CA75E110, 16 bytes long.
 Data: <0 ;7&#246;           > 30 04 3B 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001C6CA75E200, 16 bytes long.
 Data: <&#224; ;7&#246;           > E0 02 3B 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001C6CA75E7F0, 16 bytes long.
 Data: <  ;7&#246;           > 10 04 3B 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001C6CA75F010, 16 bytes long.
 Data: <p ;7&#246;           > 70 04 3B 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001C6CA75EA70, 16 bytes long.
 Data: < &#192;97&#246;           > 18 C0 39 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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