Task 38698293

Name test_7-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND6747_0
Workunit 31638818
Created 2 Nov 2026, 8:29:54 UTC
Sent 2 Nov 2026, 8:29:57 UTC
Report deadline 7 Nov 2026, 8:29:57 UTC
Received 2 Nov 2026, 9:39:59 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 628018
Run time 30 min 58 sec
CPU time 26 min 8 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 26,730.03 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 760.21 MB
Peak swap size 12.98 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
02:10:00 (46484): wrapper (7.9.26016): starting
02:10:00 (46484): 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
02:10:02 (46484): Library/usr/bin/tar.exe exited; CPU time 0.015625
02:10:02 (46484): 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\5\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\5\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
02:39:32 (46484): C:/Windows/system32/cmd.exe exited; CPU time 1568.687500
02:39:32 (46484): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 46561643 bytes.
Dumping objects ->
{3835561} normal block at 0x000001FE70A96170, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835550} normal block at 0x000001FE70A96100, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835539} normal block at 0x000001FE70A96090, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835528} normal block at 0x000001FE70A96020, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835517} normal block at 0x000001FE70A96410, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835486} normal block at 0x000001FE7293A180, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835475} normal block at 0x000001FE70AFAF30, 140 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) : {3835472} normal block at 0x000001FE70A8F0A0, 8 bytes long.
 Data: <  &#244;p&#254;   > 00 00 F4 70 FE 01 00 00 
{3834703} normal block at 0x000001FE70AFB410, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833971} normal block at 0x000001FE70A8EBA0, 8 bytes long.
 Data: < &#235;&#132;r&#254;   > 80 EB 84 72 FE 01 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000001FE70A8DE10, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000001FE70A875A0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x000001FE70A97490, 16 bytes long.
 Data: <&#200;}&#169;p&#254;           > C8 7D A9 70 FE 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001FE70A96DB0, 16 bytes long.
 Data: <&#160;}&#169;p&#254;           > A0 7D A9 70 FE 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001FE70A91590, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x000001FE70A96FE0, 16 bytes long.
 Data: <x}&#169;p&#254;           > 78 7D A9 70 FE 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001FE70A973F0, 16 bytes long.
 Data: <P}&#169;p&#254;           > 50 7D A9 70 FE 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001FE70A96C70, 16 bytes long.
 Data: <(}&#169;p&#254;           > 28 7D A9 70 FE 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001FE70A97850, 16 bytes long.
 Data: < }&#169;p&#254;           > 00 7D A9 70 FE 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001FE70A96250, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x000001FE70A97120, 16 bytes long.
 Data: < &#245;&#167;p&#254;           > 88 F5 A7 70 FE 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001FE70A90E70, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x000001FE70A96F90, 16 bytes long.
 Data: <`&#245;&#167;p&#254;           > 60 F5 A7 70 FE 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001FE70A973A0, 16 bytes long.
 Data: <8&#245;&#167;p&#254;           > 38 F5 A7 70 FE 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001FE70A979E0, 16 bytes long.
 Data: < &#245;&#167;p&#254;           > 10 F5 A7 70 FE 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001FE70A978F0, 16 bytes long.
 Data: <&#232;&#244;&#167;p&#254;           > E8 F4 A7 70 FE 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001FE70A96C20, 16 bytes long.
 Data: <&#192;&#244;&#167;p&#254;           > C0 F4 A7 70 FE 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001FE70A97990, 16 bytes long.
 Data: < &#244;&#167;p&#254;           > 98 F4 A7 70 FE 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001FE70A908D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x000001FE70A96CC0, 16 bytes long.
 Data: <p&#244;&#167;p&#254;           > 70 F4 A7 70 FE 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001FE70A7F470, 320 bytes long.
 Data: <&#192;l&#169;p&#254;   &#208; &#169;p&#254;   > C0 6C A9 70 FE 01 00 00 D0 08 A9 70 FE 01 00 00 
{281} normal block at 0x000001FE70A96EF0, 16 bytes long.
 Data: <&#224;|&#169;p&#254;           > E0 7C A9 70 FE 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001FE70A97350, 16 bytes long.
 Data: <&#184;|&#169;p&#254;           > B8 7C A9 70 FE 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001FE70A90870, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x000001FE70A96AE0, 16 bytes long.
 Data: < |&#169;p&#254;           > 90 7C A9 70 FE 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001FE70A90DB0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x000001FE70A97300, 16 bytes long.
 Data: <&#216;{&#169;p&#254;           > D8 7B A9 70 FE 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001FE70A977B0, 16 bytes long.
 Data: <&#176;{&#169;p&#254;           > B0 7B A9 70 FE 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001FE70A97440, 16 bytes long.
 Data: < {&#169;p&#254;           > 88 7B A9 70 FE 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001FE70A96B80, 16 bytes long.
 Data: <`{&#169;p&#254;           > 60 7B A9 70 FE 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001FE70A972B0, 16 bytes long.
 Data: <8{&#169;p&#254;           > 38 7B A9 70 FE 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001FE70A97A30, 16 bytes long.
 Data: < {&#169;p&#254;           > 10 7B A9 70 FE 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001FE70A96D60, 16 bytes long.
 Data: <&#208;e&#169;p&#254;           > D0 65 A9 70 FE 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001FE70A965D0, 40 bytes long.
 Data: <`m&#169;p&#254;    &#161;&#147;r&#254;   > 60 6D A9 70 FE 01 00 00 80 A1 93 72 FE 01 00 00 
{267} normal block at 0x000001FE70A96F40, 16 bytes long.
 Data: <&#240;z&#169;p&#254;           > F0 7A A9 70 FE 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001FE70A97210, 16 bytes long.
 Data: <&#200;z&#169;p&#254;           > C8 7A A9 70 FE 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001FE70A914D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x000001FE70A97760, 16 bytes long.
 Data: <&#160;z&#169;p&#254;           > A0 7A A9 70 FE 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001FE70A97AA0, 992 bytes long.
 Data: <`w&#169;p&#254;   &#208; &#169;p&#254;   > 60 77 A9 70 FE 01 00 00 D0 14 A9 70 FE 01 00 00 
{99} normal block at 0x000001FE70A91350, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x000001FE70A8EB50, 16 bytes long.
 Data: < &#223;&#167;p&#254;           > 20 DF A7 70 FE 01 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x000001FE70A7DF20, 40 bytes long.
 Data: <P&#235;&#168;p&#254;   P &#169;p&#254;   > 50 EB A8 70 FE 01 00 00 50 13 A9 70 FE 01 00 00 
{76} normal block at 0x000001FE70A8EB00, 16 bytes long.
 Data: < &#234;1&#172;&#246;           > 80 EA 31 AC F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000001FE70A8E880, 16 bytes long.
 Data: <@&#233;1&#172;&#246;           > 40 E9 31 AC F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001FE70A8E2E0, 16 bytes long.
 Data: <&#248;W.&#172;&#246;           > F8 57 2E AC F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001FE70A8ED80, 16 bytes long.
 Data: <&#216;W.&#172;&#246;           > D8 57 2E AC F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001FE70A8ED30, 16 bytes long.
 Data: <P .&#172;&#246;           > 50 04 2E AC F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001FE70A8E970, 16 bytes long.
 Data: <0 .&#172;&#246;           > 30 04 2E AC F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001FE70A8EAB0, 16 bytes long.
 Data: <&#224; .&#172;&#246;           > E0 02 2E AC F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001FE70A8EF10, 16 bytes long.
 Data: <  .&#172;&#246;           > 10 04 2E AC F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001FE70A8E240, 16 bytes long.
 Data: <p .&#172;&#246;           > 70 04 2E AC F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001FE70A8E1F0, 16 bytes long.
 Data: < &#192;,&#172;&#246;           > 18 C0 2C AC F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra