Task 38666181

Name test_408-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND6092_0
Workunit 31609194
Created 25 Oct 2026, 2:12:20 UTC
Sent 25 Oct 2026, 4:32:18 UTC
Report deadline 30 Oct 2026, 4:32:18 UTC
Received 25 Oct 2026, 10:21:29 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 613320
Run time 23 min 18 sec
CPU time 22 min 15 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 50,491.95 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 752.63 MB
Peak swap size 10.03 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:55:50 (10380): wrapper (7.9.26016): starting
10:55:50 (10380): 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
10:55:51 (10380): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:55:51 (10380): 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
11:18:32 (10380): C:/Windows/system32/cmd.exe exited; CPU time 1335.718750
11:18:32 (10380): 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: 21690581 bytes.
Dumping objects ->
{3835498} normal block at 0x000002258A6D66B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835487} normal block at 0x000002258A6D6330, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835476} normal block at 0x000002258A6D6250, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835465} normal block at 0x000002258A6D68E0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835454} normal block at 0x000002258A6D6790, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835423} normal block at 0x000002258C5766B0, 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) : {3835410} normal block at 0x000002258A6CD780, 8 bytes long.
 Data: <  &#194;&#138;%   > 00 00 C2 8A 25 02 00 00 
{3833963} normal block at 0x000002258A6CD140, 8 bytes long.
 Data: <0&#235;z&#138;%   > 30 EB 7A 8A 25 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000002258A6D1540, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002258A6BF070, 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 0x000002258A6D52F0, 16 bytes long.
 Data: < `m&#138;%           > 98 60 6D 8A 25 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002258A6D5700, 16 bytes long.
 Data: <p`m&#138;%           > 70 60 6D 8A 25 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002258A6CFAD0, 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 0x000002258A6D53E0, 16 bytes long.
 Data: <H`m&#138;%           > 48 60 6D 8A 25 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002258A6D4990, 16 bytes long.
 Data: < `m&#138;%           > 20 60 6D 8A 25 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002258A6D4FD0, 16 bytes long.
 Data: <&#248;_m&#138;%           > F8 5F 6D 8A 25 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002258A6D5110, 16 bytes long.
 Data: <&#208;_m&#138;%           > D0 5F 6D 8A 25 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002258A6D6720, 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 0x000002258A6D5160, 16 bytes long.
 Data: <H l&#138;%           > 48 8F 6C 8A 25 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002258A6CF410, 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 0x000002258A6D4800, 16 bytes long.
 Data: <  l&#138;%           > 20 8F 6C 8A 25 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002258A6D4C10, 16 bytes long.
 Data: <&#248;&#142;l&#138;%           > F8 8E 6C 8A 25 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002258A6D4EE0, 16 bytes long.
 Data: <&#208;&#142;l&#138;%           > D0 8E 6C 8A 25 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002258A6D5750, 16 bytes long.
 Data: <&#168;&#142;l&#138;%           > A8 8E 6C 8A 25 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002258A6D5660, 16 bytes long.
 Data: < &#142;l&#138;%           > 80 8E 6C 8A 25 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002258A6D4B70, 16 bytes long.
 Data: <X&#142;l&#138;%           > 58 8E 6C 8A 25 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002258A6CF950, 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 0x000002258A6D4BC0, 16 bytes long.
 Data: <0&#142;l&#138;%           > 30 8E 6C 8A 25 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002258A6C8E30, 320 bytes long.
 Data: <&#192;Km&#138;%   P&#249;l&#138;%   > C0 4B 6D 8A 25 02 00 00 50 F9 6C 8A 25 02 00 00 
{277} normal block at 0x000002258A6D4F80, 16 bytes long.
 Data: <&#176;_m&#138;%           > B0 5F 6D 8A 25 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002258A6D4CB0, 16 bytes long.
 Data: < _m&#138;%           > 88 5F 6D 8A 25 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002258A6CF230, 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 0x000002258A6D50C0, 16 bytes long.
 Data: <`_m&#138;%           > 60 5F 6D 8A 25 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002258A6CF8F0, 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 0x000002258A6D5200, 16 bytes long.
 Data: <&#168;^m&#138;%           > A8 5E 6D 8A 25 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002258A6D5390, 16 bytes long.
 Data: < ^m&#138;%           > 80 5E 6D 8A 25 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002258A6D51B0, 16 bytes long.
 Data: <X^m&#138;%           > 58 5E 6D 8A 25 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002258A6D56B0, 16 bytes long.
 Data: <0^m&#138;%           > 30 5E 6D 8A 25 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002258A6D4C60, 16 bytes long.
 Data: < ^m&#138;%           > 08 5E 6D 8A 25 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002258A6D4E40, 16 bytes long.
 Data: <&#224;]m&#138;%           > E0 5D 6D 8A 25 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002258A6D55C0, 16 bytes long.
 Data: <&#192;&#201;k&#138;%           > C0 C9 6B 8A 25 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002258A6BC9C0, 40 bytes long.
 Data: <&#192;Um&#138;%   &#176;fW&#140;%   > C0 55 6D 8A 25 02 00 00 B0 66 57 8C 25 02 00 00 
{263} normal block at 0x000002258A6D4940, 16 bytes long.
 Data: <&#192;]m&#138;%           > C0 5D 6D 8A 25 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002258A6D48A0, 16 bytes long.
 Data: < ]m&#138;%           > 98 5D 6D 8A 25 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002258A6CF650, 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 0x000002258A6D5480, 16 bytes long.
 Data: <p]m&#138;%           > 70 5D 6D 8A 25 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002258A6D5D70, 992 bytes long.
 Data: < Tm&#138;%   P&#246;l&#138;%   > 80 54 6D 8A 25 02 00 00 50 F6 6C 8A 25 02 00 00 
{95} normal block at 0x000002258A6CF3B0, 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 0x000002258A6CDA00, 16 bytes long.
 Data: <&#224;&#218;k&#138;%           > E0 DA 6B 8A 25 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000002258A6BDAE0, 40 bytes long.
 Data: < &#218;l&#138;%   &#176;&#243;l&#138;%   > 00 DA 6C 8A 25 02 00 00 B0 F3 6C 8A 25 02 00 00 
{72} normal block at 0x000002258A6CDE60, 16 bytes long.
 Data: < &#234;r&#176;&#247;           > 80 EA 72 B0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002258A6CDFA0, 16 bytes long.
 Data: <@&#233;r&#176;&#247;           > 40 E9 72 B0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002258A6CD730, 16 bytes long.
 Data: <&#248;Wo&#176;&#247;           > F8 57 6F B0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002258A6CDB90, 16 bytes long.
 Data: <&#216;Wo&#176;&#247;           > D8 57 6F B0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002258A6CDDC0, 16 bytes long.
 Data: <P o&#176;&#247;           > 50 04 6F B0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002258A6CD0F0, 16 bytes long.
 Data: <0 o&#176;&#247;           > 30 04 6F B0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002258A6CD190, 16 bytes long.
 Data: <&#224; o&#176;&#247;           > E0 02 6F B0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002258A6CD960, 16 bytes long.
 Data: <  o&#176;&#247;           > 10 04 6F B0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002258A6CDE10, 16 bytes long.
 Data: <p o&#176;&#247;           > 70 04 6F B0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002258A6CDBE0, 16 bytes long.
 Data: < &#192;m&#176;&#247;           > 18 C0 6D B0 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra