Task 38667587

Name test_938-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND4377_0
Workunit 31610197
Created 25 Oct 2026, 8:34:45 UTC
Sent 25 Oct 2026, 8:34:50 UTC
Report deadline 30 Oct 2026, 8:34:50 UTC
Received 25 Oct 2026, 9:33:26 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648105
Run time 41 min 5 sec
CPU time 40 min
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,806.17 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 662.28 MB
Peak swap size 2.96 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.13</core_client_version>
<![CDATA[
<stderr_txt>
04:48:19 (39736): wrapper (7.9.26016): starting
04:48:19 (39736): 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
04:48:22 (39736): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:48:22 (39736): 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\1\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\1\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
05:33:02 (39736): C:/Windows/system32/cmd.exe exited; CPU time 2400.781250
05:33:02 (39736): 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: 64599453 bytes.
Dumping objects ->
{3835277} normal block at 0x000002040B44C380, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835266} normal block at 0x000002040B44CAF0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835255} normal block at 0x000002040B44D030, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835244} normal block at 0x000002040B44CA80, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x000002040B44CE00, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835202} normal block at 0x000002040D004940, 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) : {3835189} normal block at 0x000002040B41C110, 8 bytes long.
 Data: <  &#224;     > 00 00 E0 0C 04 02 00 00 
{3833987} normal block at 0x000002040B41C070, 8 bytes long.
 Data: < W      > 20 57 00 0D 04 02 00 00 
..\zip\boinc_zip.cpp(122) : {325} normal block at 0x000002040B422010, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{310} normal block at 0x000002040B4100E0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{309} normal block at 0x000002040B428A50, 16 bytes long.
 Data: <&#168;&#145;B             > A8 91 42 0B 04 02 00 00 00 00 00 00 00 00 00 00 
{308} normal block at 0x000002040B428DC0, 16 bytes long.
 Data: < &#145;B             > 80 91 42 0B 04 02 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x000002040B4259D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{306} normal block at 0x000002040B4284B0, 16 bytes long.
 Data: <X&#145;B             > 58 91 42 0B 04 02 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x000002040B428BE0, 16 bytes long.
 Data: <0&#145;B             > 30 91 42 0B 04 02 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x000002040B4288C0, 16 bytes long.
 Data: < &#145;B             > 08 91 42 0B 04 02 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x000002040B428C30, 16 bytes long.
 Data: <&#224; B             > E0 90 42 0B 04 02 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000002040B420120, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{301} normal block at 0x000002040B428D70, 16 bytes long.
 Data: <&#216; A             > D8 8F 41 0B 04 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000002040B425850, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{299} normal block at 0x000002040B428870, 16 bytes long.
 Data: <&#176; A             > B0 8F 41 0B 04 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002040B428A00, 16 bytes long.
 Data: <  A             > 88 8F 41 0B 04 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002040B428730, 16 bytes long.
 Data: <` A             > 60 8F 41 0B 04 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002040B4282D0, 16 bytes long.
 Data: <8 A             > 38 8F 41 0B 04 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002040B428190, 16 bytes long.
 Data: <  A             > 10 8F 41 0B 04 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002040B4289B0, 16 bytes long.
 Data: <&#232;&#142;A             > E8 8E 41 0B 04 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002040B4257F0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{291} normal block at 0x000002040B428370, 16 bytes long.
 Data: <&#192;&#142;A             > C0 8E 41 0B 04 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002040B418EC0, 320 bytes long.
 Data: <p&#131;B     &#240;WB     > 70 83 42 0B 04 02 00 00 F0 57 42 0B 04 02 00 00 
{289} normal block at 0x000002040B428B40, 16 bytes long.
 Data: <&#192; B             > C0 90 42 0B 04 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002040B428C80, 16 bytes long.
 Data: <  B             > 98 90 42 0B 04 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002040B425550, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{286} normal block at 0x000002040B428CD0, 16 bytes long.
 Data: <p B             > 70 90 42 0B 04 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002040B425B50, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{284} normal block at 0x000002040B4285F0, 16 bytes long.
 Data: <&#184; B             > B8 8F 42 0B 04 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002040B4280A0, 16 bytes long.
 Data: <  B             > 90 8F 42 0B 04 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002040B427EC0, 16 bytes long.
 Data: <h B             > 68 8F 42 0B 04 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002040B427F60, 16 bytes long.
 Data: <@ B             > 40 8F 42 0B 04 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002040B4287D0, 16 bytes long.
 Data: <  B             > 18 8F 42 0B 04 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002040B427F10, 16 bytes long.
 Data: <&#240;&#142;B             > F0 8E 42 0B 04 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002040B428050, 16 bytes long.
 Data: <&#208; B             > D0 06 42 0B 04 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002040B4206D0, 40 bytes long.
 Data: <P B     @I      > 50 80 42 0B 04 02 00 00 40 49 00 0D 04 02 00 00 
{275} normal block at 0x000002040B428780, 16 bytes long.
 Data: <&#208;&#142;B             > D0 8E 42 0B 04 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002040B428B90, 16 bytes long.
 Data: <&#168;&#142;B             > A8 8E 42 0B 04 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002040B425010, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{272} normal block at 0x000002040B428690, 16 bytes long.
 Data: < &#142;B             > 80 8E 42 0B 04 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002040B428E80, 992 bytes long.
 Data: < &#134;B      PB     > 90 86 42 0B 04 02 00 00 10 50 42 0B 04 02 00 00 
{107} normal block at 0x000002040B425D30, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{106} normal block at 0x000002040B41C3E0, 16 bytes long.
 Data: <&#176; B             > B0 00 42 0B 04 02 00 00 00 00 00 00 00 00 00 00 
{105} normal block at 0x000002040B4200B0, 40 bytes long.
 Data: <&#224;&#195;A     0]B     > E0 C3 41 0B 04 02 00 00 30 5D 42 0B 04 02 00 00 
{84} normal block at 0x000002040B41C890, 16 bytes long.
 Data: < &#234;&#133;&#236;&#246;           > 80 EA 85 EC F6 7F 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x000002040B41C700, 16 bytes long.
 Data: <@&#233;&#133;&#236;&#246;           > 40 E9 85 EC F6 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x000002040B41CAC0, 16 bytes long.
 Data: <&#248;W&#130;&#236;&#246;           > F8 57 82 EC F6 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x000002040B41C7F0, 16 bytes long.
 Data: <&#216;W&#130;&#236;&#246;           > D8 57 82 EC F6 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x000002040B41C390, 16 bytes long.
 Data: <P &#130;&#236;&#246;           > 50 04 82 EC F6 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x000002040B41C250, 16 bytes long.
 Data: <0 &#130;&#236;&#246;           > 30 04 82 EC F6 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x000002040B41CA70, 16 bytes long.
 Data: <&#224; &#130;&#236;&#246;           > E0 02 82 EC F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x000002040B41CA20, 16 bytes long.
 Data: <  &#130;&#236;&#246;           > 10 04 82 EC F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x000002040B41C4D0, 16 bytes long.
 Data: <p &#130;&#236;&#246;           > 70 04 82 EC F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000002040B41CC50, 16 bytes long.
 Data: < &#192; &#236;&#246;           > 18 C0 80 EC F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra