Task 38684269

Name test_374-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND6800_0
Workunit 31625789
Created 27 Oct 2026, 15:31:17 UTC
Sent 27 Oct 2026, 15:31:23 UTC
Report deadline 1 Nov 2026, 15:31:23 UTC
Received 27 Oct 2026, 15:54:27 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 629717
Run time 22 min 31 sec
CPU time 19 min 9 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 28,388.91 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 752.22 MB
Peak swap size 13.04 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
10:32:40 (70536): wrapper (7.9.26016): starting
10:32:40 (70536): 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
10:32:42 (70536): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:32:42 (70536): 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\32\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\32\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
10:54:01 (70536): C:/Windows/system32/cmd.exe exited; CPU time 1149.750000
10:54:01 (70536): 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: 36392625 bytes.
Dumping objects ->
{3835311} normal block at 0x0000020018C6ACE0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835300} normal block at 0x0000020018C6B290, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835289} normal block at 0x0000020018C6B370, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835278} normal block at 0x0000020018C6B1B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835267} normal block at 0x0000020018C6BA00, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835236} normal block at 0x000002001A9BD7D0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835225} normal block at 0x000002001AA1F3F0, 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) : {3835222} normal block at 0x0000020018C3F200, 8 bytes long.
 Data: <  &#187;     > 00 00 BB 18 00 02 00 00 
{3834575} normal block at 0x000002001AA1E6E0, 102 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 0x0000020018C3F1B0, 8 bytes long.
 Data: <&#176;H&#166;     > B0 48 A6 1A 00 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000020018C364C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000020018C37230, 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 0x0000020018C468F0, 16 bytes long.
 Data: <XX&#196;             > 58 58 C4 18 00 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000020018C45D10, 16 bytes long.
 Data: <0X&#196;             > 30 58 C4 18 00 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020018C40B90, 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 0x0000020018C45B80, 16 bytes long.
 Data: < X&#196;             > 08 58 C4 18 00 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000020018C46530, 16 bytes long.
 Data: <&#224;W&#196;             > E0 57 C4 18 00 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020018C464E0, 16 bytes long.
 Data: <&#184;W&#196;             > B8 57 C4 18 00 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020018C45C20, 16 bytes long.
 Data: < W&#196;             > 90 57 C4 18 00 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020018C43AF0, 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 0x0000020018C46260, 16 bytes long.
 Data: < &#163;&#195;             > 88 A3 C3 18 00 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020018C40AD0, 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 0x0000020018C46440, 16 bytes long.
 Data: <`&#163;&#195;             > 60 A3 C3 18 00 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020018C467B0, 16 bytes long.
 Data: <8&#163;&#195;             > 38 A3 C3 18 00 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020018C45A40, 16 bytes long.
 Data: < &#163;&#195;             > 10 A3 C3 18 00 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020018C46080, 16 bytes long.
 Data: <&#232;&#162;&#195;             > E8 A2 C3 18 00 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020018C45DB0, 16 bytes long.
 Data: <&#192;&#162;&#195;             > C0 A2 C3 18 00 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020018C45A90, 16 bytes long.
 Data: < &#162;&#195;             > 98 A2 C3 18 00 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020018C40A10, 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 0x0000020018C46120, 16 bytes long.
 Data: <p&#162;&#195;             > 70 A2 C3 18 00 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020018C3A270, 320 bytes long.
 Data: < a&#196;       &#196;     > 20 61 C4 18 00 02 00 00 10 0A C4 18 00 02 00 00 
{276} normal block at 0x0000020018C46170, 16 bytes long.
 Data: <pW&#196;             > 70 57 C4 18 00 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020018C45B30, 16 bytes long.
 Data: <HW&#196;             > 48 57 C4 18 00 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020018C409B0, 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 0x0000020018C46030, 16 bytes long.
 Data: < W&#196;             > 20 57 C4 18 00 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020018C40BF0, 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 0x0000020018C46300, 16 bytes long.
 Data: <hV&#196;             > 68 56 C4 18 00 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020018C46670, 16 bytes long.
 Data: <@V&#196;             > 40 56 C4 18 00 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020018C46850, 16 bytes long.
 Data: < V&#196;             > 18 56 C4 18 00 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020018C45C70, 16 bytes long.
 Data: <&#240;U&#196;             > F0 55 C4 18 00 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020018C45BD0, 16 bytes long.
 Data: <&#200;U&#196;             > C8 55 C4 18 00 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020018C3E670, 16 bytes long.
 Data: <&#160;U&#196;             > A0 55 C4 18 00 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020018C3E530, 16 bytes long.
 Data: <@<&#196;             > 40 3C C4 18 00 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020018C43C40, 40 bytes long.
 Data: <0&#229;&#195;     &#208;&#215;&#155;     > 30 E5 C3 18 00 02 00 00 D0 D7 9B 1A 00 02 00 00 
{262} normal block at 0x0000020018C3E990, 16 bytes long.
 Data: < U&#196;             > 80 55 C4 18 00 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020018C3EAD0, 16 bytes long.
 Data: <XU&#196;             > 58 55 C4 18 00 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020018C40950, 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 0x0000020018C3F0C0, 16 bytes long.
 Data: <0U&#196;             > 30 55 C4 18 00 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000020018C45530, 992 bytes long.
 Data: <&#192;&#240;&#195;     P	&#196;     > C0 F0 C3 18 00 02 00 00 50 09 C4 18 00 02 00 00 
{94} normal block at 0x0000020018C408F0, 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 0x0000020018C3F070, 16 bytes long.
 Data: < :&#196;             > 10 3A C4 18 00 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000020018C43A10, 40 bytes long.
 Data: <p&#240;&#195;     &#240; &#196;     > 70 F0 C3 18 00 02 00 00 F0 08 C4 18 00 02 00 00 
{71} normal block at 0x0000020018C3EE40, 16 bytes long.
 Data: < &#234;&#199;]&#247;           > 80 EA C7 5D F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000020018C3F430, 16 bytes long.
 Data: <@&#233;&#199;]&#247;           > 40 E9 C7 5D F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000020018C3E7B0, 16 bytes long.
 Data: <&#248;W&#196;]&#247;           > F8 57 C4 5D F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000020018C3EF30, 16 bytes long.
 Data: <&#216;W&#196;]&#247;           > D8 57 C4 5D F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000020018C3E710, 16 bytes long.
 Data: <P &#196;]&#247;           > 50 04 C4 5D F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020018C3EDA0, 16 bytes long.
 Data: <0 &#196;]&#247;           > 30 04 C4 5D F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020018C3F160, 16 bytes long.
 Data: <&#224; &#196;]&#247;           > E0 02 C4 5D F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020018C3F020, 16 bytes long.
 Data: <  &#196;]&#247;           > 10 04 C4 5D F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020018C3EE90, 16 bytes long.
 Data: <p &#196;]&#247;           > 70 04 C4 5D F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020018C3EDF0, 16 bytes long.
 Data: < &#192;&#194;]&#247;           > 18 C0 C2 5D F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra