Task 38688123

Name test_821-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND6755_0
Workunit 31629492
Created 28 Oct 2026, 11:50:14 UTC
Sent 28 Oct 2026, 11:50:21 UTC
Report deadline 2 Nov 2026, 11:50:21 UTC
Received 28 Oct 2026, 13:00:20 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653368
Run time 34 min 53 sec
CPU time
Validate state Valid
Credit 60,000.00
Device peak FLOPS 23,707.18 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 764.47 MB
Peak swap size 12.94 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:25:40 (11508): wrapper (7.9.26016): starting
12:25:40 (11508): 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
12:25:41 (11508): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:25:41 (11508): 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:\BOINC2\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:\BOINC2\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
12:59:42 (11508): C:/Windows/system32/cmd.exe exited; CPU time 1853.828125
12:59:42 (11508): 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: 38118355 bytes.
Dumping objects ->
{3835234} normal block at 0x0000025770582E00, 48 bytes long.
 Data: <PATH=C:\BOINC2\s> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 32 5C 73 
{3835223} normal block at 0x00000257723639C0, 32 bytes long.
 Data: <HOME=C:\BOINC2\s> 48 4F 4D 45 3D 43 3A 5C 42 4F 49 4E 43 32 5C 73 
{3835212} normal block at 0x0000025772363480, 32 bytes long.
 Data: <TMP=C:\BOINC2\sl> 54 4D 50 3D 43 3A 5C 42 4F 49 4E 43 32 5C 73 6C 
{3835201} normal block at 0x0000025772363F00, 32 bytes long.
 Data: <TEMP=C:\BOINC2\s> 54 45 4D 50 3D 43 3A 5C 42 4F 49 4E 43 32 5C 73 
{3835190} normal block at 0x00000257723635A0, 32 bytes long.
 Data: <TMPDIR=C:\BOINC2> 54 4D 50 44 49 52 3D 43 3A 5C 42 4F 49 4E 43 32 
{3835159} normal block at 0x0000025770582D90, 48 bytes long.
 Data: <PATH=C:\BOINC2\s> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 32 5C 73 
{3835148} normal block at 0x000002577232CC80, 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) : {3835145} normal block at 0x000002577057D720, 8 bytes long.
 Data: <  TpW   > 00 00 54 70 57 02 00 00 
{3834543} normal block at 0x000002577232C860, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x000002577057CCD0, 8 bytes long.
 Data: <&#208;&#234;"rW   > D0 EA 22 72 57 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000002577057EF70, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000025770576320, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x0000025770583970, 16 bytes long.
 Data: <HGXpW           > 48 47 58 70 57 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000025770583100, 16 bytes long.
 Data: < GXpW           > 20 47 58 70 57 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002577057E460, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x00000257705833D0, 16 bytes long.
 Data: <&#248;FXpW           > F8 46 58 70 57 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000025770583920, 16 bytes long.
 Data: <&#208;FXpW           > D0 46 58 70 57 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000025770583C40, 16 bytes long.
 Data: <&#168;FXpW           > A8 46 58 70 57 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000257705830B0, 16 bytes long.
 Data: < FXpW           > 80 46 58 70 57 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000025770582A10, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x0000025770583150, 16 bytes long.
 Data: <H WpW           > 48 90 57 70 57 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002577057E040, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x0000025770583470, 16 bytes long.
 Data: <  WpW           > 20 90 57 70 57 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000025770583CE0, 16 bytes long.
 Data: <&#248; WpW           > F8 8F 57 70 57 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000025770583A60, 16 bytes long.
 Data: <&#208; WpW           > D0 8F 57 70 57 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000025770583240, 16 bytes long.
 Data: <&#168; WpW           > A8 8F 57 70 57 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000257705837E0, 16 bytes long.
 Data: <  WpW           > 80 8F 57 70 57 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000257705832E0, 16 bytes long.
 Data: <X WpW           > 58 8F 57 70 57 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002577057DFE0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x00000257705831F0, 16 bytes long.
 Data: <0 WpW           > 30 8F 57 70 57 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000025770578F30, 320 bytes long.
 Data: <&#240;1XpW   &#224;&#223;WpW   > F0 31 58 70 57 02 00 00 E0 DF 57 70 57 02 00 00 
{277} normal block at 0x0000025770583740, 16 bytes long.
 Data: <`FXpW           > 60 46 58 70 57 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000257705831A0, 16 bytes long.
 Data: <8FXpW           > 38 46 58 70 57 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002577057E3A0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x0000025770583290, 16 bytes long.
 Data: < FXpW           > 10 46 58 70 57 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002577057DF20, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x0000025770583BF0, 16 bytes long.
 Data: <XEXpW           > 58 45 58 70 57 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000025770583380, 16 bytes long.
 Data: <0EXpW           > 30 45 58 70 57 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000257705838D0, 16 bytes long.
 Data: < EXpW           > 08 45 58 70 57 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000025770583E70, 16 bytes long.
 Data: <&#224;DXpW           > E0 44 58 70 57 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000025770583830, 16 bytes long.
 Data: <&#184;DXpW           > B8 44 58 70 57 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000025770583C90, 16 bytes long.
 Data: < DXpW           > 90 44 58 70 57 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000025770583E20, 16 bytes long.
 Data: <&#160;)XpW           > A0 29 58 70 57 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000257705829A0, 40 bytes long.
 Data: < >XpW    -XpW   > 20 3E 58 70 57 02 00 00 90 2D 58 70 57 02 00 00 
{263} normal block at 0x0000025770583A10, 16 bytes long.
 Data: <pDXpW           > 70 44 58 70 57 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000025770583B00, 16 bytes long.
 Data: <HDXpW           > 48 44 58 70 57 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002577057DD40, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x0000025770583330, 16 bytes long.
 Data: < DXpW           > 20 44 58 70 57 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000025770584420, 992 bytes long.
 Data: <03XpW   @&#221;WpW   > 30 33 58 70 57 02 00 00 40 DD 57 70 57 02 00 00 
{95} normal block at 0x000002577057E4C0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000002577057CE10, 16 bytes long.
 Data: <&#240;&#228;VpW           > F0 E4 56 70 57 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000002577056E4F0, 40 bytes long.
 Data: < &#206;WpW   &#192;&#228;WpW   > 10 CE 57 70 57 02 00 00 C0 E4 57 70 57 02 00 00 
{72} normal block at 0x000002577057D3B0, 16 bytes long.
 Data: < &#234; &#213;&#247;           > 80 EA 02 D5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002577057CB90, 16 bytes long.
 Data: <@&#233; &#213;&#247;           > 40 E9 02 D5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002577057D180, 16 bytes long.
 Data: <&#248;W&#255;&#212;&#247;           > F8 57 FF D4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002577057D4F0, 16 bytes long.
 Data: <&#216;W&#255;&#212;&#247;           > D8 57 FF D4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002577057C9B0, 16 bytes long.
 Data: <P &#255;&#212;&#247;           > 50 04 FF D4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002577057CD70, 16 bytes long.
 Data: <0 &#255;&#212;&#247;           > 30 04 FF D4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002577057CA00, 16 bytes long.
 Data: <&#224; &#255;&#212;&#247;           > E0 02 FF D4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002577057D040, 16 bytes long.
 Data: <  &#255;&#212;&#247;           > 10 04 FF D4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002577057CD20, 16 bytes long.
 Data: <p &#255;&#212;&#247;           > 70 04 FF D4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002577057CB40, 16 bytes long.
 Data: < &#192;&#253;&#212;&#247;           > 18 C0 FD D4 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra