Task 38684106

Name test_713-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND8003_0
Workunit 31625630
Created 27 Oct 2026, 14:44:12 UTC
Sent 27 Oct 2026, 14:44:17 UTC
Report deadline 1 Nov 2026, 14:44:17 UTC
Received 27 Oct 2026, 16:07:28 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 630739
Run time 40 min 54 sec
CPU time 37 min 56 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,302.18 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 733.32 MB
Peak swap size 11.39 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:27:41 (41592): wrapper (7.9.26016): starting
11:27:41 (41592): 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
11:27:43 (41592): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:27:43 (41592): 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\28\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\28\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
12:06:49 (41592): C:/Windows/system32/cmd.exe exited; CPU time 2276.609375
12:06:49 (41592): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 48932213 bytes.
Dumping objects ->
{3835284} normal block at 0x00000258F1D9D730, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835273} normal block at 0x00000258F0074CF0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835262} normal block at 0x00000258F0074740, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835251} normal block at 0x00000258F0074890, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835240} normal block at 0x00000258F0074820, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835209} normal block at 0x00000258F1DE5B80, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835198} normal block at 0x00000258F1DFE470, 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) : {3835195} normal block at 0x00000258F006FCD0, 8 bytes long.
 Data: <  F&#240;X   > 00 00 46 F0 58 02 00 00 
{3834571} normal block at 0x00000258F1DFE680, 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 0x00000258F006FA00, 8 bytes long.
 Data: < 9&#228;&#241;X   > 80 39 E4 F1 58 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000258F0066240, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000258F0067430, 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 0x00000258F0075D30, 16 bytes long.
 Data: < g &#240;X           > 08 67 07 F0 58 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000258F0075F60, 16 bytes long.
 Data: <&#224;f &#240;X           > E0 66 07 F0 58 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000258F0070EC0, 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 0x00000258F0076230, 16 bytes long.
 Data: <&#184;f &#240;X           > B8 66 07 F0 58 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000258F0075CE0, 16 bytes long.
 Data: < f &#240;X           > 90 66 07 F0 58 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000258F0075C40, 16 bytes long.
 Data: <hf &#240;X           > 68 66 07 F0 58 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000258F0075BF0, 16 bytes long.
 Data: <@f &#240;X           > 40 66 07 F0 58 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000258F0074A50, 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 0x00000258F0075BA0, 16 bytes long.
 Data: <&#248;&#159; &#240;X           > F8 9F 06 F0 58 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000258F00709E0, 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 0x00000258F00756F0, 16 bytes long.
 Data: <&#208;&#159; &#240;X           > D0 9F 06 F0 58 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000258F00758D0, 16 bytes long.
 Data: <&#168;&#159; &#240;X           > A8 9F 06 F0 58 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000258F0075A10, 16 bytes long.
 Data: < &#159; &#240;X           > 80 9F 06 F0 58 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000258F0075420, 16 bytes long.
 Data: <X&#159; &#240;X           > 58 9F 06 F0 58 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000258F00756A0, 16 bytes long.
 Data: <0&#159; &#240;X           > 30 9F 06 F0 58 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000258F0075E20, 16 bytes long.
 Data: < &#159; &#240;X           > 08 9F 06 F0 58 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000258F0070860, 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 0x00000258F0075650, 16 bytes long.
 Data: <&#224;&#158; &#240;X           > E0 9E 06 F0 58 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000258F0069EE0, 320 bytes long.
 Data: <PV &#240;X   `  &#240;X   > 50 56 07 F0 58 02 00 00 60 08 07 F0 58 02 00 00 
{277} normal block at 0x00000258F00754C0, 16 bytes long.
 Data: < f &#240;X           > 20 66 07 F0 58 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000258F0075510, 16 bytes long.
 Data: <&#248;e &#240;X           > F8 65 07 F0 58 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000258F0070E00, 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 0x00000258F0075F10, 16 bytes long.
 Data: <&#208;e &#240;X           > D0 65 07 F0 58 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000258F00715E0, 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 0x00000258F0075DD0, 16 bytes long.
 Data: < e &#240;X           > 18 65 07 F0 58 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000258F0075AB0, 16 bytes long.
 Data: <&#240;d &#240;X           > F0 64 07 F0 58 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000258F0075600, 16 bytes long.
 Data: <&#200;d &#240;X           > C8 64 07 F0 58 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000258F0076370, 16 bytes long.
 Data: <&#160;d &#240;X           > A0 64 07 F0 58 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000258F0075D80, 16 bytes long.
 Data: <xd &#240;X           > 78 64 07 F0 58 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000258F0075C90, 16 bytes long.
 Data: <Pd &#240;X           > 50 64 07 F0 58 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000258F0075B00, 16 bytes long.
 Data: <&#224;I &#240;X           > E0 49 07 F0 58 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000258F00749E0, 40 bytes long.
 Data: < [ &#240;X    [&#222;&#241;X   > 00 5B 07 F0 58 02 00 00 80 5B DE F1 58 02 00 00 
{263} normal block at 0x00000258F0075A60, 16 bytes long.
 Data: <0d &#240;X           > 30 64 07 F0 58 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000258F0075E70, 16 bytes long.
 Data: < d &#240;X           > 08 64 07 F0 58 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000258F00707A0, 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 0x00000258F0075EC0, 16 bytes long.
 Data: <&#224;c &#240;X           > E0 63 07 F0 58 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000258F00763E0, 992 bytes long.
 Data: <&#192;^ &#240;X   &#160;  &#240;X   > C0 5E 07 F0 58 02 00 00 A0 07 07 F0 58 02 00 00 
{95} normal block at 0x00000258F0070C20, 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 0x00000258F006F9B0, 16 bytes long.
 Data: <`&#201; &#240;X           > 60 C9 05 F0 58 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x00000258F005C960, 40 bytes long.
 Data: <&#176;&#249; &#240;X      &#240;X   > B0 F9 06 F0 58 02 00 00 20 0C 07 F0 58 02 00 00 
{72} normal block at 0x00000258F0070180, 16 bytes long.
 Data: < &#234;g[&#246;           > 80 EA 67 5B F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000258F00704F0, 16 bytes long.
 Data: <@&#233;g[&#246;           > 40 E9 67 5B F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000258F0070040, 16 bytes long.
 Data: <&#248;Wd[&#246;           > F8 57 64 5B F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000258F00703B0, 16 bytes long.
 Data: <&#216;Wd[&#246;           > D8 57 64 5B F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000258F006FFF0, 16 bytes long.
 Data: <P d[&#246;           > 50 04 64 5B F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000258F006FC80, 16 bytes long.
 Data: <0 d[&#246;           > 30 04 64 5B F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000258F0070590, 16 bytes long.
 Data: <&#224; d[&#246;           > E0 02 64 5B F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000258F006FB40, 16 bytes long.
 Data: <  d[&#246;           > 10 04 64 5B F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000258F006F8C0, 16 bytes long.
 Data: <p d[&#246;           > 70 04 64 5B F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000258F006FD70, 16 bytes long.
 Data: < &#192;b[&#246;           > 18 C0 62 5B F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra