Task 38684427

Name test_241-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND7909_0
Workunit 31625942
Created 27 Oct 2026, 16:18:03 UTC
Sent 27 Oct 2026, 16:18:11 UTC
Report deadline 1 Nov 2026, 16:18:11 UTC
Received 27 Oct 2026, 16:52:47 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 640732
Run time 24 min 12 sec
CPU time 23 min 40 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 109,325.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 744.89 MB
Peak swap size 13.24 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:23:29 (10900): wrapper (7.9.26016): starting
16:23:29 (10900): 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
16:23:30 (10900): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:23:30 (10900): 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\62\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\62\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
16:49:55 (10900): C:/Windows/system32/cmd.exe exited; CPU time 1420.984375
16:49:55 (10900): 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: 32610637 bytes.
Dumping objects ->
{3835192} normal block at 0x00000282961BCF40, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835181} normal block at 0x00000282961BD100, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835170} normal block at 0x00000282961BCA70, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835159} normal block at 0x00000282961BC6F0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835148} normal block at 0x00000282961BCC30, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835117} normal block at 0x0000028297F2D440, 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) : {3835104} normal block at 0x0000028296191A00, 8 bytes long.
 Data: <  W&#150;&#130;   > 00 00 57 96 82 02 00 00 
{3833961} normal block at 0x0000028296191B40, 8 bytes long.
 Data: <&#176;&#229;&&#150;&#130;   > B0 E5 26 96 82 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000028296185850, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000028296186DE0, 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 0x0000028296199A50, 16 bytes long.
 Data: <&#168;&#161; &#150;&#130;           > A8 A1 19 96 82 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000028296198FB0, 16 bytes long.
 Data: < &#161; &#150;&#130;           > 80 A1 19 96 82 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000028296194670, 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 0x00000282961995A0, 16 bytes long.
 Data: <X&#161; &#150;&#130;           > 58 A1 19 96 82 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000028296199320, 16 bytes long.
 Data: <0&#161; &#150;&#130;           > 30 A1 19 96 82 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000028296199550, 16 bytes long.
 Data: < &#161; &#150;&#130;           > 08 A1 19 96 82 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000028296199C80, 16 bytes long.
 Data: <&#224;&#160; &#150;&#130;           > E0 A0 19 96 82 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000028296193180, 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 0x00000282961999B0, 16 bytes long.
 Data: <&#168;J &#150;&#130;           > A8 4A 18 96 82 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000028296195030, 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 0x00000282961996E0, 16 bytes long.
 Data: < J &#150;&#130;           > 80 4A 18 96 82 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000282961992D0, 16 bytes long.
 Data: <XJ &#150;&#130;           > 58 4A 18 96 82 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000028296199CD0, 16 bytes long.
 Data: <0J &#150;&#130;           > 30 4A 18 96 82 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000028296199960, 16 bytes long.
 Data: < J &#150;&#130;           > 08 4A 18 96 82 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000028296199A00, 16 bytes long.
 Data: <&#224;I &#150;&#130;           > E0 49 18 96 82 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000028296199370, 16 bytes long.
 Data: <&#184;I &#150;&#130;           > B8 49 18 96 82 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000028296194790, 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 0x0000028296199690, 16 bytes long.
 Data: < I &#150;&#130;           > 90 49 18 96 82 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000028296184990, 320 bytes long.
 Data: < &#150; &#150;&#130;    G &#150;&#130;   > 90 96 19 96 82 02 00 00 90 47 19 96 82 02 00 00 
{276} normal block at 0x0000028296199000, 16 bytes long.
 Data: <&#192;&#160; &#150;&#130;           > C0 A0 19 96 82 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000282961990A0, 16 bytes long.
 Data: < &#160; &#150;&#130;           > 98 A0 19 96 82 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000282961952D0, 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 0x0000028296199C30, 16 bytes long.
 Data: <p&#160; &#150;&#130;           > 70 A0 19 96 82 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000282961947F0, 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 0x0000028296199AA0, 16 bytes long.
 Data: <&#184;&#159; &#150;&#130;           > B8 9F 19 96 82 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000282961990F0, 16 bytes long.
 Data: < &#159; &#150;&#130;           > 90 9F 19 96 82 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000282961995F0, 16 bytes long.
 Data: <h&#159; &#150;&#130;           > 68 9F 19 96 82 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000028296199140, 16 bytes long.
 Data: <@&#159; &#150;&#130;           > 40 9F 19 96 82 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000028296199DC0, 16 bytes long.
 Data: < &#159; &#150;&#130;           > 18 9F 19 96 82 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000028296199500, 16 bytes long.
 Data: <&#240;&#158; &#150;&#130;           > F0 9E 19 96 82 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000028296198F60, 16 bytes long.
 Data: <&#240;1 &#150;&#130;           > F0 31 19 96 82 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000282961931F0, 40 bytes long.
 Data: <`  &#150;&#130;   @&#212;&#242;&#151;&#130;   > 60 8F 19 96 82 02 00 00 40 D4 F2 97 82 02 00 00 
{262} normal block at 0x00000282961998C0, 16 bytes long.
 Data: <&#208;&#158; &#150;&#130;           > D0 9E 19 96 82 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000282961994B0, 16 bytes long.
 Data: <&#168;&#158; &#150;&#130;           > A8 9E 19 96 82 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000028296194D90, 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 0x0000028296199460, 16 bytes long.
 Data: < &#158; &#150;&#130;           > 80 9E 19 96 82 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000028296199E80, 992 bytes long.
 Data: <`&#148; &#150;&#130;    M &#150;&#130;   > 60 94 19 96 82 02 00 00 90 4D 19 96 82 02 00 00 
{94} normal block at 0x0000028296195090, 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 0x0000028296191820, 16 bytes long.
 Data: <&#192;/ &#150;&#130;           > C0 2F 19 96 82 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000028296192FC0, 40 bytes long.
 Data: <   &#150;&#130;    P &#150;&#130;   > 20 18 19 96 82 02 00 00 90 50 19 96 82 02 00 00 
{71} normal block at 0x0000028296190FB0, 16 bytes long.
 Data: < &#234;>&#229;&#246;           > 80 EA 3E E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000028296191A50, 16 bytes long.
 Data: <@&#233;>&#229;&#246;           > 40 E9 3E E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000282961912D0, 16 bytes long.
 Data: <&#248;W;&#229;&#246;           > F8 57 3B E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000028296191370, 16 bytes long.
 Data: <&#216;W;&#229;&#246;           > D8 57 3B E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000028296191000, 16 bytes long.
 Data: <P ;&#229;&#246;           > 50 04 3B E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000028296191140, 16 bytes long.
 Data: <0 ;&#229;&#246;           > 30 04 3B E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000282961917D0, 16 bytes long.
 Data: <&#224; ;&#229;&#246;           > E0 02 3B E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000282961916E0, 16 bytes long.
 Data: <  ;&#229;&#246;           > 10 04 3B E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000028296191280, 16 bytes long.
 Data: <p ;&#229;&#246;           > 70 04 3B E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000282961915F0, 16 bytes long.
 Data: < &#192;9&#229;&#246;           > 18 C0 39 E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra