Task 38678706

Name test_417-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND8144_0
Workunit 31620514
Created 26 Oct 2026, 18:14:37 UTC
Sent 26 Oct 2026, 18:14:39 UTC
Report deadline 31 Oct 2026, 18:14:39 UTC
Received 26 Oct 2026, 18:50:39 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654804
Run time 21 min 18 sec
CPU time 20 min 33 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,599.15 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 707.49 MB
Peak swap size 6.96 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
14:20:37 (26492): wrapper (7.9.26016): starting
14:20:37 (26492): 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
14:20:38 (26492): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:20:38 (26492): 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\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:\ProgramData\BOINC\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
14:41:57 (26492): C:/Windows/system32/cmd.exe exited; CPU time 1233.343750
14:41:57 (26492): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 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: 22357327 bytes.
Dumping objects ->
{3835256} normal block at 0x000001FB60CF6CB0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835245} normal block at 0x000001FB60CF6F50, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835234} normal block at 0x000001FB60CF69A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835223} normal block at 0x000001FB60CF7110, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x000001FB60CF6A80, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835181} normal block at 0x000001FB62A84AE0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835168} normal block at 0x000001FB60CCDBA0, 8 bytes long.
 Data: <  /a&#251;   > 00 00 2F 61 FB 01 00 00 
{3833967} normal block at 0x000001FB60CCD650, 8 bytes long.
 Data: < &#234;&#214;`&#251;   > 20 EA D6 60 FB 01 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001FB60C9E700, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001FB60C87C90, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x000001FB60CD3810, 16 bytes long.
 Data: <&#216;G&#205;`&#251;           > D8 47 CD 60 FB 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001FB60CD3B80, 16 bytes long.
 Data: <&#176;G&#205;`&#251;           > B0 47 CD 60 FB 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001FB60C9FE90, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x000001FB60CD3F90, 16 bytes long.
 Data: < G&#205;`&#251;           > 88 47 CD 60 FB 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001FB60CD3DB0, 16 bytes long.
 Data: <`G&#205;`&#251;           > 60 47 CD 60 FB 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001FB60CD3680, 16 bytes long.
 Data: <8G&#205;`&#251;           > 38 47 CD 60 FB 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001FB60CD43A0, 16 bytes long.
 Data: < G&#205;`&#251;           > 10 47 CD 60 FB 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001FB60CCFD70, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x000001FB60CD3F40, 16 bytes long.
 Data: <&#216;1&#205;`&#251;           > D8 31 CD 60 FB 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001FB60CA05B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x000001FB60CD3EA0, 16 bytes long.
 Data: <&#176;1&#205;`&#251;           > B0 31 CD 60 FB 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001FB60CD43F0, 16 bytes long.
 Data: < 1&#205;`&#251;           > 88 31 CD 60 FB 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001FB60CD3590, 16 bytes long.
 Data: <`1&#205;`&#251;           > 60 31 CD 60 FB 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001FB60CD3BD0, 16 bytes long.
 Data: <81&#205;`&#251;           > 38 31 CD 60 FB 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001FB60CD39A0, 16 bytes long.
 Data: < 1&#205;`&#251;           > 10 31 CD 60 FB 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001FB60CD3EF0, 16 bytes long.
 Data: <&#232;0&#205;`&#251;           > E8 30 CD 60 FB 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001FB60CA0130, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x000001FB60CD39F0, 16 bytes long.
 Data: <&#192;0&#205;`&#251;           > C0 30 CD 60 FB 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001FB60CD30C0, 320 bytes long.
 Data: <&#240;9&#205;`&#251;   0 &#202;`&#251;   > F0 39 CD 60 FB 01 00 00 30 01 CA 60 FB 01 00 00 
{279} normal block at 0x000001FB60CD3D60, 16 bytes long.
 Data: <&#240;F&#205;`&#251;           > F0 46 CD 60 FB 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001FB60CD40D0, 16 bytes long.
 Data: <&#200;F&#205;`&#251;           > C8 46 CD 60 FB 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001FB60C9FDD0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x000001FB60CD3B30, 16 bytes long.
 Data: <&#160;F&#205;`&#251;           > A0 46 CD 60 FB 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001FB60CA0550, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x000001FB60CD38B0, 16 bytes long.
 Data: <&#232;E&#205;`&#251;           > E8 45 CD 60 FB 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001FB60CD3540, 16 bytes long.
 Data: <&#192;E&#205;`&#251;           > C0 45 CD 60 FB 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001FB60CD35E0, 16 bytes long.
 Data: < E&#205;`&#251;           > 98 45 CD 60 FB 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001FB60CD4080, 16 bytes long.
 Data: <pE&#205;`&#251;           > 70 45 CD 60 FB 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001FB60CD3D10, 16 bytes long.
 Data: <HE&#205;`&#251;           > 48 45 CD 60 FB 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001FB60CD4350, 16 bytes long.
 Data: < E&#205;`&#251;           > 20 45 CD 60 FB 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001FB60CD3E50, 16 bytes long.
 Data: < &#249;&#204;`&#251;           > 80 F9 CC 60 FB 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001FB60CCF980, 40 bytes long.
 Data: <P>&#205;`&#251;   &#224;J&#168;b&#251;   > 50 3E CD 60 FB 01 00 00 E0 4A A8 62 FB 01 00 00 
{265} normal block at 0x000001FB60CD3E00, 16 bytes long.
 Data: < E&#205;`&#251;           > 00 45 CD 60 FB 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001FB60CD3950, 16 bytes long.
 Data: <&#216;D&#205;`&#251;           > D8 44 CD 60 FB 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001FB60C9FF50, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x000001FB60CD3AE0, 16 bytes long.
 Data: <&#176;D&#205;`&#251;           > B0 44 CD 60 FB 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001FB60CD44B0, 992 bytes long.
 Data: <&#224;:&#205;`&#251;   P&#255;&#201;`&#251;   > E0 3A CD 60 FB 01 00 00 50 FF C9 60 FB 01 00 00 
{97} normal block at 0x000001FB60CA09D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x000001FB60CCDD30, 16 bytes long.
 Data: <&#240;&#249;&#204;`&#251;           > F0 F9 CC 60 FB 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000001FB60CCF9F0, 40 bytes long.
 Data: <0&#221;&#204;`&#251;   &#208;	&#202;`&#251;   > 30 DD CC 60 FB 01 00 00 D0 09 CA 60 FB 01 00 00 
{74} normal block at 0x000001FB60CCD5B0, 16 bytes long.
 Data: < &#234;&#167;U&#247;           > 80 EA A7 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001FB60CCDB00, 16 bytes long.
 Data: <@&#233;&#167;U&#247;           > 40 E9 A7 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001FB60CCD330, 16 bytes long.
 Data: <&#248;W&#164;U&#247;           > F8 57 A4 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001FB60CCD600, 16 bytes long.
 Data: <&#216;W&#164;U&#247;           > D8 57 A4 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001FB60CCD970, 16 bytes long.
 Data: <P &#164;U&#247;           > 50 04 A4 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001FB60CCDCE0, 16 bytes long.
 Data: <0 &#164;U&#247;           > 30 04 A4 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001FB60CCDFB0, 16 bytes long.
 Data: <&#224; &#164;U&#247;           > E0 02 A4 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001FB60CCD6F0, 16 bytes long.
 Data: <  &#164;U&#247;           > 10 04 A4 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001FB60CCD740, 16 bytes long.
 Data: <p &#164;U&#247;           > 70 04 A4 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001FB60CCD4C0, 16 bytes long.
 Data: < &#192;&#162;U&#247;           > 18 C0 A2 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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