Task 38648962

Name test_688-GPUGRID_TEST_ATM_40STEP_20261023-0-40-RND5708_0
Workunit 31593640
Created 23 Oct 2026, 20:56:37 UTC
Sent 24 Oct 2026, 3:19:07 UTC
Report deadline 29 Oct 2026, 3:19:07 UTC
Received 24 Oct 2026, 4:12:12 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651905
Run time 23 min
CPU time 17 min 47 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,624.74 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 730.79 MB
Peak swap size 6.89 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:49:46 (53332): wrapper (7.9.26016): starting
06:49:46 (53332): 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
06:49:48 (53332): Library/usr/bin/tar.exe exited; CPU time 0.015625
06:49:48 (53332): 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\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:\ProgramData\BOINC\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
07:11:53 (53332): C:/Windows/system32/cmd.exe exited; CPU time 1067.140625
07:11:53 (53332): called boinc_finish(0)
0 bytes in 0 Free Blocks.
566 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: 19253793 bytes.
Dumping objects ->
{3835555} normal block at 0x000001C3D92D48E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835544} normal block at 0x000001C3D92D43A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835533} normal block at 0x000001C3D74E5610, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835522} normal block at 0x000001C3D74E5680, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835511} normal block at 0x000001C3D74E55A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835480} normal block at 0x000001C3D92484C0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835469} normal block at 0x000001C3D9170730, 155 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) : {3835466} normal block at 0x000001C3D74DDE50, 8 bytes long.
 Data: <  &#171;&#215;&#195;   > 00 00 AB D7 C3 01 00 00 
{3834693} normal block at 0x000001C3D9170570, 155 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x000001C3D74DD900, 8 bytes long.
 Data: < &#187;P&#215;&#195;   > 20 BB 50 D7 C3 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001C3D74E20E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001C3D74D6510, 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 0x000001C3D74E62F0, 16 bytes long.
 Data: <8pN&#215;&#195;           > 38 70 4E D7 C3 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001C3D74E5E90, 16 bytes long.
 Data: < pN&#215;&#195;           > 10 70 4E D7 C3 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001C3D74E0410, 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 0x000001C3D74E64D0, 16 bytes long.
 Data: <&#232;oN&#215;&#195;           > E8 6F 4E D7 C3 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001C3D74E5FD0, 16 bytes long.
 Data: <&#192;oN&#215;&#195;           > C0 6F 4E D7 C3 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001C3D74E6480, 16 bytes long.
 Data: < oN&#215;&#195;           > 98 6F 4E D7 C3 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001C3D74E5F80, 16 bytes long.
 Data: <poN&#215;&#195;           > 70 6F 4E D7 C3 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001C3D74E5840, 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 0x000001C3D74E6660, 16 bytes long.
 Data: <h&#150;M&#215;&#195;           > 68 96 4D D7 C3 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001C3D74E0290, 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 0x000001C3D74E6200, 16 bytes long.
 Data: <@&#150;M&#215;&#195;           > 40 96 4D D7 C3 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001C3D74E5DF0, 16 bytes long.
 Data: < &#150;M&#215;&#195;           > 18 96 4D D7 C3 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001C3D74E61B0, 16 bytes long.
 Data: <&#240;&#149;M&#215;&#195;           > F0 95 4D D7 C3 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001C3D74E5DA0, 16 bytes long.
 Data: <&#200;&#149;M&#215;&#195;           > C8 95 4D D7 C3 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001C3D74E6B60, 16 bytes long.
 Data: <&#160;&#149;M&#215;&#195;           > A0 95 4D D7 C3 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001C3D74E6C00, 16 bytes long.
 Data: <x&#149;M&#215;&#195;           > 78 95 4D D7 C3 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001C3D74E05F0, 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 0x000001C3D74E6930, 16 bytes long.
 Data: <P&#149;M&#215;&#195;           > 50 95 4D D7 C3 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001C3D74D9550, 320 bytes long.
 Data: <0iN&#215;&#195;   &#240; N&#215;&#195;   > 30 69 4E D7 C3 01 00 00 F0 05 4E D7 C3 01 00 00 
{276} normal block at 0x000001C3D74E6020, 16 bytes long.
 Data: <PoN&#215;&#195;           > 50 6F 4E D7 C3 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001C3D74E6110, 16 bytes long.
 Data: <(oN&#215;&#195;           > 28 6F 4E D7 C3 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001C3D74E01D0, 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 0x000001C3D74E6250, 16 bytes long.
 Data: < oN&#215;&#195;           > 00 6F 4E D7 C3 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001C3D74DFB70, 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 0x000001C3D74E6430, 16 bytes long.
 Data: <HnN&#215;&#195;           > 48 6E 4E D7 C3 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001C3D74E6160, 16 bytes long.
 Data: < nN&#215;&#195;           > 20 6E 4E D7 C3 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001C3D74E66B0, 16 bytes long.
 Data: <&#248;mN&#215;&#195;           > F8 6D 4E D7 C3 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001C3D74E68E0, 16 bytes long.
 Data: <&#208;mN&#215;&#195;           > D0 6D 4E D7 C3 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001C3D74E62A0, 16 bytes long.
 Data: <&#168;mN&#215;&#195;           > A8 6D 4E D7 C3 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001C3D74E63E0, 16 bytes long.
 Data: <&#128;mN&#215;&#195;           > 80 6D 4E D7 C3 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001C3D74E5E40, 16 bytes long.
 Data: <`WN&#215;&#195;           > 60 57 4E D7 C3 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001C3D74E5760, 40 bytes long.
 Data: <@^N&#215;&#195;   &#192;&#132;$&#217;&#195;   > 40 5E 4E D7 C3 01 00 00 C0 84 24 D9 C3 01 00 00 
{262} normal block at 0x000001C3D74E5D50, 16 bytes long.
 Data: <`mN&#215;&#195;           > 60 6D 4E D7 C3 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001C3D74E6C50, 16 bytes long.
 Data: <8mN&#215;&#195;           > 38 6D 4E D7 C3 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001C3D74DFC90, 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 0x000001C3D74E6390, 16 bytes long.
 Data: < mN&#215;&#195;           > 10 6D 4E D7 C3 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001C3D74E6D10, 992 bytes long.
 Data: <&#144;cN&#215;&#195;   &#144;&#252;M&#215;&#195;   > 90 63 4E D7 C3 01 00 00 90 FC 4D D7 C3 01 00 00 
{94} normal block at 0x000001C3D74E0590, 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 0x000001C3D74DE670, 16 bytes long.
 Data: <&#128;&#244;M&#215;&#195;           > 80 F4 4D D7 C3 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001C3D74DF480, 40 bytes long.
 Data: <p&#230;M&#215;&#195;   &#144; N&#215;&#195;   > 70 E6 4D D7 C3 01 00 00 90 05 4E D7 C3 01 00 00 
{71} normal block at 0x000001C3D74DE620, 16 bytes long.
 Data: <&#128;&#234;/#&#247;           > 80 EA 2F 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001C3D74DE3A0, 16 bytes long.
 Data: <@&#233;/#&#247;           > 40 E9 2F 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001C3D74DE350, 16 bytes long.
 Data: <&#248;W,#&#247;           > F8 57 2C 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001C3D74DDEA0, 16 bytes long.
 Data: <&#216;W,#&#247;           > D8 57 2C 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001C3D74DDD60, 16 bytes long.
 Data: <P ,#&#247;           > 50 04 2C 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001C3D74DE5D0, 16 bytes long.
 Data: <0 ,#&#247;           > 30 04 2C 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001C3D74DDB80, 16 bytes long.
 Data: <&#224; ,#&#247;           > E0 02 2C 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001C3D74DD9A0, 16 bytes long.
 Data: <  ,#&#247;           > 10 04 2C 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001C3D74DE1C0, 16 bytes long.
 Data: <p ,#&#247;           > 70 04 2C 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001C3D74DD810, 16 bytes long.
 Data: < &#192;*#&#247;           > 18 C0 2A 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra