Task 38660996

Name test_517-GPUGRID_TEST_ATM_40STEP_20261023-7-40-RND6426_0
Workunit 31604451
Created 24 Oct 2026, 15:03:43 UTC
Sent 24 Oct 2026, 15:08:34 UTC
Report deadline 29 Oct 2026, 15:08:34 UTC
Received 24 Oct 2026, 16:12:42 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 494803
Run time 28 min 45 sec
CPU time 26 min 32 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,067.36 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 679.29 MB
Peak swap size 3.81 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:44:36 (18724): wrapper (7.9.26016): starting
17:44:36 (18724): 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
17:44:37 (18724): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:44:37 (18724): 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\slots\8\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\slots\8\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
18:12:20 (18724): C:/Windows/system32/cmd.exe exited; CPU time 1592.296875
18:12:20 (18724): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 bytes in 6 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: 28912923 bytes.
Dumping objects ->
{3835522} normal block at 0x0000020A184476B0, 48 bytes long.
 Data: <PATH=E:\BOINC\sl> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835511} normal block at 0x0000020A1A096E90, 32 bytes long.
 Data: <HOME=E:\BOINC\sl> 48 4F 4D 45 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835500} normal block at 0x0000020A1A097070, 32 bytes long.
 Data: <TMP=E:\BOINC\slo> 54 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835489} normal block at 0x0000020A1A097250, 32 bytes long.
 Data: <TEMP=E:\BOINC\sl> 54 45 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835478} normal block at 0x0000020A1A096EF0, 32 bytes long.
 Data: <TMPDIR=E:\BOINC\> 54 4D 50 44 49 52 3D 45 3A 5C 42 4F 49 4E 43 5C 
{3835447} normal block at 0x0000020A18447B10, 48 bytes long.
 Data: <PATH=E:\BOINC\sl> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
..\api\boinc_api.cpp(309) : {3835434} normal block at 0x0000020A18418090, 8 bytes long.
 Data: <  ?     > 00 00 3F 18 0A 02 00 00 
{3833955} normal block at 0x0000020A18418040, 8 bytes long.
 Data: <&#208;&#232;&#245;     > D0 E8 F5 19 0A 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000020A18422750, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020A18423690, 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 0x0000020A18423A60, 16 bytes long.
 Data: <(LB             > 28 4C 42 18 0A 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000020A18424320, 16 bytes long.
 Data: < LB             > 00 4C 42 18 0A 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020A1841C7D0, 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 0x0000020A18424050, 16 bytes long.
 Data: <&#216;KB             > D8 4B 42 18 0A 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020A184246E0, 16 bytes long.
 Data: <&#176;KB             > B0 4B 42 18 0A 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020A18423C90, 16 bytes long.
 Data: < KB             > 88 4B 42 18 0A 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020A18424410, 16 bytes long.
 Data: <`KB             > 60 4B 42 18 0A 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020A1841E020, 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 0x0000020A184238D0, 16 bytes long.
 Data: <(6B             > 28 36 42 18 0A 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020A1841C410, 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 0x0000020A184243C0, 16 bytes long.
 Data: < 6B             > 00 36 42 18 0A 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020A184239C0, 16 bytes long.
 Data: <&#216;5B             > D8 35 42 18 0A 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020A18423E20, 16 bytes long.
 Data: <&#176;5B             > B0 35 42 18 0A 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020A18423C40, 16 bytes long.
 Data: < 5B             > 88 35 42 18 0A 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020A18423D80, 16 bytes long.
 Data: <`5B             > 60 35 42 18 0A 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020A18423CE0, 16 bytes long.
 Data: <85B             > 38 35 42 18 0A 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020A1841CE90, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{275} normal block at 0x0000020A18423790, 16 bytes long.
 Data: < 5B             > 10 35 42 18 0A 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020A18423510, 320 bytes long.
 Data: < 7B      &#206;A     > 90 37 42 18 0A 02 00 00 90 CE 41 18 0A 02 00 00 
{273} normal block at 0x0000020A18424500, 16 bytes long.
 Data: <@KB             > 40 4B 42 18 0A 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020A18423920, 16 bytes long.
 Data: < KB             > 18 4B 42 18 0A 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020A1841C590, 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 0x0000020A184241E0, 16 bytes long.
 Data: <&#240;JB             > F0 4A 42 18 0A 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020A1841C290, 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 0x0000020A184244B0, 16 bytes long.
 Data: <8JB             > 38 4A 42 18 0A 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020A18423BF0, 16 bytes long.
 Data: < JB             > 10 4A 42 18 0A 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020A18424000, 16 bytes long.
 Data: <&#232;IB             > E8 49 42 18 0A 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020A18423F60, 16 bytes long.
 Data: <&#192;IB             > C0 49 42 18 0A 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020A18423BA0, 16 bytes long.
 Data: < IB             > 98 49 42 18 0A 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020A184242D0, 16 bytes long.
 Data: <pIB             > 70 49 42 18 0A 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020A18423B50, 16 bytes long.
 Data: <&#224;&#225;A             > E0 E1 41 18 0A 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020A1841E1E0, 40 bytes long.
 Data: <P;B      {D     > 50 3B 42 18 0A 02 00 00 10 7B 44 18 0A 02 00 00 
{259} normal block at 0x0000020A18423880, 16 bytes long.
 Data: <PIB             > 50 49 42 18 0A 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000020A18424550, 16 bytes long.
 Data: <(IB             > 28 49 42 18 0A 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000020A1841CB30, 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 0x0000020A18423970, 16 bytes long.
 Data: < IB             > 00 49 42 18 0A 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000020A18424900, 992 bytes long.
 Data: <p9B     0&#203;A     > 70 39 42 18 0A 02 00 00 30 CB 41 18 0A 02 00 00 
{91} normal block at 0x0000020A1841C770, 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 0x0000020A18417500, 16 bytes long.
 Data: <&#208;&#222;A             > D0 DE 41 18 0A 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x0000020A1841DED0, 40 bytes long.
 Data: < uA     p&#199;A     > 00 75 41 18 0A 02 00 00 70 C7 41 18 0A 02 00 00 
{68} normal block at 0x0000020A18417640, 16 bytes long.
 Data: < &#234; &#225;&#246;           > 80 EA 0D E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000020A18417FA0, 16 bytes long.
 Data: <@&#233; &#225;&#246;           > 40 E9 0D E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020A18417E60, 16 bytes long.
 Data: <&#248;W &#225;&#246;           > F8 57 0A E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020A18417F50, 16 bytes long.
 Data: <&#216;W &#225;&#246;           > D8 57 0A E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020A184183B0, 16 bytes long.
 Data: <P  &#225;&#246;           > 50 04 0A E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020A18417960, 16 bytes long.
 Data: <0  &#225;&#246;           > 30 04 0A E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020A18417870, 16 bytes long.
 Data: <&#224;  &#225;&#246;           > E0 02 0A E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000020A18417E10, 16 bytes long.
 Data: <   &#225;&#246;           > 10 04 0A E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000020A18417F00, 16 bytes long.
 Data: <p  &#225;&#246;           > 70 04 0A E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000020A18418220, 16 bytes long.
 Data: < &#192; &#225;&#246;           > 18 C0 08 E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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