Task 38686808

Name test_715-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND4691_0
Workunit 31628221
Created 28 Oct 2026, 4:30:44 UTC
Sent 28 Oct 2026, 4:30:55 UTC
Report deadline 2 Nov 2026, 4:30:55 UTC
Received 28 Oct 2026, 5:05:30 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 198644
Run time 33 min 56 sec
CPU time 33 min 51 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,609.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 735.52 MB
Peak swap size 13.00 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
21:31:58 (6072): wrapper (7.9.26016): starting
21:31:58 (6072): 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
21:31:59 (6072): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:31:59 (6072): 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\1\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\1\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
22:05:00 (6072): C:/Windows/system32/cmd.exe exited; CPU time 2031.375000
22:05:00 (6072): 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: 22295343 bytes.
Dumping objects ->
{3835314} normal block at 0x000002C2D5E84B40, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835303} normal block at 0x000002C2D5E849F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835292} normal block at 0x000002C2D5E84830, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835281} normal block at 0x000002C2D5E84AD0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835270} normal block at 0x000002C2D5E84750, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835239} normal block at 0x000002C2D7BB64C0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835228} normal block at 0x000002C2D7BCEB50, 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) : {3835225} normal block at 0x000002C2D5E7E810, 8 bytes long.
 Data: <  >&#214;&#194;   > 00 00 3E D6 C2 02 00 00 
{3834574} normal block at 0x000002C2D7BCE470, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x000002C2D5E7F490, 8 bytes long.
 Data: < &#175;&#234;&#213;&#194;   > 00 AF EA D5 C2 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000002C2D5E80C40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002C2D5E6F760, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000002C2D5E85310, 16 bytes long.
 Data: < d&#232;&#213;&#194;           > 18 64 E8 D5 C2 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002C2D5E85F90, 16 bytes long.
 Data: <&#240;c&#232;&#213;&#194;           > F0 63 E8 D5 C2 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002C2D5E7FEF0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000002C2D5E85A40, 16 bytes long.
 Data: <&#200;c&#232;&#213;&#194;           > C8 63 E8 D5 C2 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002C2D5E85270, 16 bytes long.
 Data: <&#160;c&#232;&#213;&#194;           > A0 63 E8 D5 C2 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002C2D5E857C0, 16 bytes long.
 Data: <xc&#232;&#213;&#194;           > 78 63 E8 D5 C2 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002C2D5E859A0, 16 bytes long.
 Data: <Pc&#232;&#213;&#194;           > 50 63 E8 D5 C2 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002C2D5E84BB0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000002C2D5E85860, 16 bytes long.
 Data: <&#200;&#181;&#230;&#213;&#194;           > C8 B5 E6 D5 C2 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002C2D5E80070, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000002C2D5E85950, 16 bytes long.
 Data: <&#160;&#181;&#230;&#213;&#194;           > A0 B5 E6 D5 C2 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002C2D5E85360, 16 bytes long.
 Data: <x&#181;&#230;&#213;&#194;           > 78 B5 E6 D5 C2 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002C2D5E85630, 16 bytes long.
 Data: <P&#181;&#230;&#213;&#194;           > 50 B5 E6 D5 C2 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002C2D5E855E0, 16 bytes long.
 Data: <(&#181;&#230;&#213;&#194;           > 28 B5 E6 D5 C2 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002C2D5E85540, 16 bytes long.
 Data: < &#181;&#230;&#213;&#194;           > 00 B5 E6 D5 C2 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002C2D5E85C70, 16 bytes long.
 Data: <&#216;&#180;&#230;&#213;&#194;           > D8 B4 E6 D5 C2 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002C2D5E80250, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000002C2D5E852C0, 16 bytes long.
 Data: <&#176;&#180;&#230;&#213;&#194;           > B0 B4 E6 D5 C2 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002C2D5E6B4B0, 320 bytes long.
 Data: <&#192;R&#232;&#213;&#194;   P &#232;&#213;&#194;   > C0 52 E8 D5 C2 02 00 00 50 02 E8 D5 C2 02 00 00 
{274} normal block at 0x000002C2D5E85590, 16 bytes long.
 Data: <0c&#232;&#213;&#194;           > 30 63 E8 D5 C2 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002C2D5E85EA0, 16 bytes long.
 Data: < c&#232;&#213;&#194;           > 08 63 E8 D5 C2 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002C2D5E7FA70, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000002C2D5E858B0, 16 bytes long.
 Data: <&#224;b&#232;&#213;&#194;           > E0 62 E8 D5 C2 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002C2D5E7FE90, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000002C2D5E85130, 16 bytes long.
 Data: <(b&#232;&#213;&#194;           > 28 62 E8 D5 C2 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002C2D5E85EF0, 16 bytes long.
 Data: < b&#232;&#213;&#194;           > 00 62 E8 D5 C2 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002C2D5E85450, 16 bytes long.
 Data: <&#216;a&#232;&#213;&#194;           > D8 61 E8 D5 C2 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002C2D5E859F0, 16 bytes long.
 Data: <&#176;a&#232;&#213;&#194;           > B0 61 E8 D5 C2 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002C2D5E856D0, 16 bytes long.
 Data: < a&#232;&#213;&#194;           > 88 61 E8 D5 C2 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002C2D5E85BD0, 16 bytes long.
 Data: <`a&#232;&#213;&#194;           > 60 61 E8 D5 C2 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002C2D5E85A90, 16 bytes long.
 Data: < E&#232;&#213;&#194;           > 90 45 E8 D5 C2 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002C2D5E84590, 40 bytes long.
 Data: < Z&#232;&#213;&#194;   &#192;d&#187;&#215;&#194;   > 90 5A E8 D5 C2 02 00 00 C0 64 BB D7 C2 02 00 00 
{260} normal block at 0x000002C2D5E85220, 16 bytes long.
 Data: <@a&#232;&#213;&#194;           > 40 61 E8 D5 C2 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002C2D5E86030, 16 bytes long.
 Data: < a&#232;&#213;&#194;           > 18 61 E8 D5 C2 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002C2D5E80010, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000002C2D5E85F40, 16 bytes long.
 Data: <&#240;`&#232;&#213;&#194;           > F0 60 E8 D5 C2 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002C2D5E860F0, 992 bytes long.
 Data: <@_&#232;&#213;&#194;     &#232;&#213;&#194;   > 40 5F E8 D5 C2 02 00 00 10 00 E8 D5 C2 02 00 00 
{92} normal block at 0x000002C2D5E7FFB0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000002C2D5E7EA40, 16 bytes long.
 Data: <&#240;&#254;&#230;&#213;&#194;           > F0 FE E6 D5 C2 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000002C2D5E6FEF0, 40 bytes long.
 Data: <@&#234;&#231;&#213;&#194;   &#176;&#255;&#231;&#213;&#194;   > 40 EA E7 D5 C2 02 00 00 B0 FF E7 D5 C2 02 00 00 
{69} normal block at 0x000002C2D5E7E900, 16 bytes long.
 Data: < &#234;T &#247;           > 80 EA 54 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002C2D5E7EDB0, 16 bytes long.
 Data: <@&#233;T &#247;           > 40 E9 54 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002C2D5E7EEF0, 16 bytes long.
 Data: <&#248;WQ &#247;           > F8 57 51 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002C2D5E7EAE0, 16 bytes long.
 Data: <&#216;WQ &#247;           > D8 57 51 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002C2D5E7EE50, 16 bytes long.
 Data: <P Q &#247;           > 50 04 51 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002C2D5E7F170, 16 bytes long.
 Data: <0 Q &#247;           > 30 04 51 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002C2D5E7EFE0, 16 bytes long.
 Data: <&#224; Q &#247;           > E0 02 51 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002C2D5E7EEA0, 16 bytes long.
 Data: <  Q &#247;           > 10 04 51 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002C2D5E7E7C0, 16 bytes long.
 Data: <p Q &#247;           > 70 04 51 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002C2D5E7EA90, 16 bytes long.
 Data: < &#192;O &#247;           > 18 C0 4F 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra