Task 38683239

Name test_320-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND1714_0
Workunit 31624814
Created 27 Oct 2026, 11:02:29 UTC
Sent 27 Oct 2026, 11:02:31 UTC
Report deadline 1 Nov 2026, 11:02:31 UTC
Received 27 Oct 2026, 12:46:17 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 591854
Run time 1 hours 41 min 32 sec
CPU time 1 hours 32 min 5 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 36,130.35 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 683.71 MB
Peak swap size 3.69 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
04:06:43 (5472): wrapper (7.9.26016): starting
04:06:43 (5472): 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
04:06:45 (5472): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:06:45 (5472): 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 'D:\S0_4_Boinc-Ssd_mp_80GB\boinc\slots\5\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 'D:\S0_4_Boinc-Ssd_mp_80GB\boinc\slots\5\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
05:45:40 (5472): C:/Windows/system32/cmd.exe exited; CPU time 5525.546875
05:45:40 (5472): called boinc_finish(0)
0 bytes in 0 Free Blocks.
476 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: 72572889 bytes.
Dumping objects ->
{3835265} normal block at 0x0000020DD7CFC510, 64 bytes long.
 Data: <PATH=D:\S0_4_Boi> 50 41 54 48 3D 44 3A 5C 53 30 5F 34 5F 42 6F 69 
{3835254} normal block at 0x0000020DD7CB00F0, 48 bytes long.
 Data: <HOME=D:\S0_4_Boi> 48 4F 4D 45 3D 44 3A 5C 53 30 5F 34 5F 42 6F 69 
{3835243} normal block at 0x0000020DD7CAF8A0, 48 bytes long.
 Data: <TMP=D:\S0_4_Boin> 54 4D 50 3D 44 3A 5C 53 30 5F 34 5F 42 6F 69 6E 
{3835232} normal block at 0x0000020DD7CB04E0, 48 bytes long.
 Data: <TEMP=D:\S0_4_Boi> 54 45 4D 50 3D 44 3A 5C 53 30 5F 34 5F 42 6F 69 
{3835221} normal block at 0x0000020DD7CAFFA0, 48 bytes long.
 Data: <TMPDIR=D:\S0_4_B> 54 4D 50 44 49 52 3D 44 3A 5C 53 30 5F 34 5F 42 
{3835190} normal block at 0x0000020DD7CFBE90, 64 bytes long.
 Data: <PATH=D:\S0_4_Boi> 50 41 54 48 3D 44 3A 5C 53 30 5F 34 5F 42 6F 69 
{3835179} normal block at 0x0000020DD60FE0D0, 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) : {3835176} normal block at 0x0000020DD601F330, 8 bytes long.
 Data: <  F&#214;    > 00 00 46 D6 0D 02 00 00 
{3834569} normal block at 0x0000020DD60FE9C0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833979} normal block at 0x0000020DD601E750, 8 bytes long.
 Data: <&#176;&#146;&#212;&#215;    > B0 92 D4 D7 0D 02 00 00 
..\zip\boinc_zip.cpp(122) : {321} normal block at 0x0000020DD60203E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x0000020DD6017F10, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{305} normal block at 0x0000020DD60275E0, 16 bytes long.
 Data: <&#168;&#133; &#214;            > A8 85 02 D6 0D 02 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x0000020DD60274F0, 16 bytes long.
 Data: < &#133; &#214;            > 80 85 02 D6 0D 02 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x0000020DD6022E20, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{302} normal block at 0x0000020DD6028030, 16 bytes long.
 Data: <X&#133; &#214;            > 58 85 02 D6 0D 02 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000020DD60274A0, 16 bytes long.
 Data: <0&#133; &#214;            > 30 85 02 D6 0D 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000020DD6027EA0, 16 bytes long.
 Data: < &#133; &#214;            > 08 85 02 D6 0D 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000020DD6027680, 16 bytes long.
 Data: <&#224;&#132; &#214;            > E0 84 02 D6 0D 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000020DD6025C20, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{297} normal block at 0x0000020DD6027770, 16 bytes long.
 Data: <(  &#214;            > 28 03 01 D6 0D 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000020DD6022400, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{295} normal block at 0x0000020DD60276D0, 16 bytes long.
 Data: <   &#214;            > 00 03 01 D6 0D 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000020DD6027C70, 16 bytes long.
 Data: <&#216;  &#214;            > D8 02 01 D6 0D 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000020DD6027C20, 16 bytes long.
 Data: <&#176;  &#214;            > B0 02 01 D6 0D 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020DD6027590, 16 bytes long.
 Data: <   &#214;            > 88 02 01 D6 0D 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020DD6028170, 16 bytes long.
 Data: <`  &#214;            > 60 02 01 D6 0D 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020DD6028080, 16 bytes long.
 Data: <8  &#214;            > 38 02 01 D6 0D 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020DD6022700, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{287} normal block at 0x0000020DD6027450, 16 bytes long.
 Data: <   &#214;            > 10 02 01 D6 0D 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020DD6010210, 320 bytes long.
 Data: <Pt &#214;     ' &#214;    > 50 74 02 D6 0D 02 00 00 00 27 02 D6 0D 02 00 00 
{285} normal block at 0x0000020DD60280D0, 16 bytes long.
 Data: <&#192;&#132; &#214;            > C0 84 02 D6 0D 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020DD60279F0, 16 bytes long.
 Data: < &#132; &#214;            > 98 84 02 D6 0D 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020DD60228E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{282} normal block at 0x0000020DD6027BD0, 16 bytes long.
 Data: <p&#132; &#214;            > 70 84 02 D6 0D 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020DD6022340, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{280} normal block at 0x0000020DD6027400, 16 bytes long.
 Data: <&#184;&#131; &#214;            > B8 83 02 D6 0D 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020DD6027810, 16 bytes long.
 Data: < &#131; &#214;            > 90 83 02 D6 0D 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020DD6028120, 16 bytes long.
 Data: <h&#131; &#214;            > 68 83 02 D6 0D 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020DD6027DB0, 16 bytes long.
 Data: <@&#131; &#214;            > 40 83 02 D6 0D 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020DD6027630, 16 bytes long.
 Data: < &#131; &#214;            > 18 83 02 D6 0D 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020DD6027B30, 16 bytes long.
 Data: <&#240;&#130; &#214;            > F0 82 02 D6 0D 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020DD6027A90, 16 bytes long.
 Data: <@[ &#214;            > 40 5B 02 D6 0D 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020DD6025B40, 40 bytes long.
 Data: < z &#214;     &#190;&#207;&#215;    > 90 7A 02 D6 0D 02 00 00 90 BE CF D7 0D 02 00 00 
{271} normal block at 0x0000020DD6027D60, 16 bytes long.
 Data: <&#208;&#130; &#214;            > D0 82 02 D6 0D 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020DD6027CC0, 16 bytes long.
 Data: <&#168;&#130; &#214;            > A8 82 02 D6 0D 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020DD6022040, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{268} normal block at 0x0000020DD6027540, 16 bytes long.
 Data: < &#130; &#214;            > 80 82 02 D6 0D 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020DD6028280, 992 bytes long.
 Data: <@u &#214;    @  &#214;    > 40 75 02 D6 0D 02 00 00 40 20 02 D6 0D 02 00 00 
{103} normal block at 0x0000020DD60223A0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{102} normal block at 0x0000020DD601F240, 16 bytes long.
 Data: <&#208;Z &#214;            > D0 5A 02 D6 0D 02 00 00 00 00 00 00 00 00 00 00 
{101} normal block at 0x0000020DD6025AD0, 40 bytes long.
 Data: <@&#242; &#214;    &#160;# &#214;    > 40 F2 01 D6 0D 02 00 00 A0 23 02 D6 0D 02 00 00 
{80} normal block at 0x0000020DD601F3D0, 16 bytes long.
 Data: < &#234;/J&#247;           > 80 EA 2F 4A F7 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x0000020DD601F100, 16 bytes long.
 Data: <@&#233;/J&#247;           > 40 E9 2F 4A F7 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x0000020DD601F1F0, 16 bytes long.
 Data: <&#248;W,J&#247;           > F8 57 2C 4A F7 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x0000020DD601EA20, 16 bytes long.
 Data: <&#216;W,J&#247;           > D8 57 2C 4A F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x0000020DD601EED0, 16 bytes long.
 Data: <P ,J&#247;           > 50 04 2C 4A F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x0000020DD601EF70, 16 bytes long.
 Data: <0 ,J&#247;           > 30 04 2C 4A F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000020DD601EE80, 16 bytes long.
 Data: <&#224; ,J&#247;           > E0 02 2C 4A F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000020DD601E9D0, 16 bytes long.
 Data: <  ,J&#247;           > 10 04 2C 4A F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000020DD601EF20, 16 bytes long.
 Data: <p ,J&#247;           > 70 04 2C 4A F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000020DD601E930, 16 bytes long.
 Data: < &#192;*J&#247;           > 18 C0 2A 4A F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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