Task 38682495

Name test_185-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND9325_0
Workunit 31624104
Created 27 Oct 2026, 7:57:29 UTC
Sent 27 Oct 2026, 7:57:36 UTC
Report deadline 1 Nov 2026, 7:57:36 UTC
Received 27 Oct 2026, 8:20:48 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652862
Run time 19 min 25 sec
CPU time 18 min 21 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 32,075.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 756.37 MB
Peak swap size 12.96 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:01:45 (3264): wrapper (7.9.26016): starting
09:01:45 (3264): 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
09:01:46 (3264): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:01:46 (3264): 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\29\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\29\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: Exiting with failure status due to previous errors
09:20:30 (3264): C:/Windows/system32/cmd.exe exited; CPU time 1101.734375
09:20:30 (3264): 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: 20788455 bytes.
Dumping objects ->
{3835578} normal block at 0x0000021E4E78D340, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835567} normal block at 0x0000021E4E78D8F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835556} normal block at 0x0000021E4E78DC00, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835545} normal block at 0x0000021E4E78DC70, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835534} normal block at 0x0000021E4CB74930, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835503} normal block at 0x0000021E4E7D8B80, 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) : {3835490} normal block at 0x0000021E4CB6F8B0, 8 bytes long.
 Data: <   M    > 00 00 00 4D 1E 02 00 00 
{3833959} normal block at 0x0000021E4CB6EE10, 8 bytes long.
 Data: <@&#228;&#196;L    > 40 E4 C4 4C 1E 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000021E4CB70FC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000021E4CB66910, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x0000021E4CB75F40, 16 bytes long.
 Data: <hi&#183;L            > 68 69 B7 4C 1E 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000021E4CB75EF0, 16 bytes long.
 Data: <@i&#183;L            > 40 69 B7 4C 1E 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000021E4CB70210, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x0000021E4CB75AE0, 16 bytes long.
 Data: < i&#183;L            > 18 69 B7 4C 1E 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000021E4CB756D0, 16 bytes long.
 Data: <&#240;h&#183;L            > F0 68 B7 4C 1E 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000021E4CB75A40, 16 bytes long.
 Data: <&#200;h&#183;L            > C8 68 B7 4C 1E 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000021E4CB764E0, 16 bytes long.
 Data: <&#160;h&#183;L            > A0 68 B7 4C 1E 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000021E4CB74D20, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x0000021E4CB75C20, 16 bytes long.
 Data: <H &#182;L            > 48 90 B6 4C 1E 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000021E4CB701B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x0000021E4CB759F0, 16 bytes long.
 Data: <  &#182;L            > 20 90 B6 4C 1E 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000021E4CB76260, 16 bytes long.
 Data: <&#248; &#182;L            > F8 8F B6 4C 1E 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021E4CB75D60, 16 bytes long.
 Data: <&#208; &#182;L            > D0 8F B6 4C 1E 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000021E4CB75F90, 16 bytes long.
 Data: <&#168; &#182;L            > A8 8F B6 4C 1E 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021E4CB760D0, 16 bytes long.
 Data: <  &#182;L            > 80 8F B6 4C 1E 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000021E4CB765D0, 16 bytes long.
 Data: <X &#182;L            > 58 8F B6 4C 1E 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000021E4CB700F0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x0000021E4CB759A0, 16 bytes long.
 Data: <0 &#182;L            > 30 8F B6 4C 1E 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000021E4CB68F30, 320 bytes long.
 Data: <&#160;Y&#183;L    &#240; &#183;L    > A0 59 B7 4C 1E 02 00 00 F0 00 B7 4C 1E 02 00 00 
{275} normal block at 0x0000021E4CB75EA0, 16 bytes long.
 Data: < h&#183;L            > 80 68 B7 4C 1E 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000021E4CB758B0, 16 bytes long.
 Data: <Xh&#183;L            > 58 68 B7 4C 1E 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000021E4CB70870, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x0000021E4CB75BD0, 16 bytes long.
 Data: <0h&#183;L            > 30 68 B7 4C 1E 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021E4CB6FC10, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x0000021E4CB76580, 16 bytes long.
 Data: <xg&#183;L            > 78 67 B7 4C 1E 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021E4CB75860, 16 bytes long.
 Data: <Pg&#183;L            > 50 67 B7 4C 1E 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021E4CB75A90, 16 bytes long.
 Data: <(g&#183;L            > 28 67 B7 4C 1E 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021E4CB75E50, 16 bytes long.
 Data: < g&#183;L            > 00 67 B7 4C 1E 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021E4CB75E00, 16 bytes long.
 Data: <&#216;f&#183;L            > D8 66 B7 4C 1E 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000021E4CB75950, 16 bytes long.
 Data: <&#176;f&#183;L            > B0 66 B7 4C 1E 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000021E4CB75810, 16 bytes long.
 Data: <&#224;N&#183;L            > E0 4E B7 4C 1E 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000021E4CB74EE0, 40 bytes long.
 Data: < X&#183;L     &#139;}N    > 10 58 B7 4C 1E 02 00 00 80 8B 7D 4E 1E 02 00 00 
{261} normal block at 0x0000021E4CB75680, 16 bytes long.
 Data: < f&#183;L            > 90 66 B7 4C 1E 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000021E4CB75900, 16 bytes long.
 Data: <hf&#183;L            > 68 66 B7 4C 1E 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000021E4CB706F0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x0000021E4CB75DB0, 16 bytes long.
 Data: <@f&#183;L            > 40 66 B7 4C 1E 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000021E4CB76640, 992 bytes long.
 Data: <&#176;]&#183;L    &#240; &#183;L    > B0 5D B7 4C 1E 02 00 00 F0 06 B7 4C 1E 02 00 00 
{93} normal block at 0x0000021E4CB70030, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x0000021E4CB6EC80, 16 bytes long.
 Data: <&#240;J&#183;L            > F0 4A B7 4C 1E 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000021E4CB74AF0, 40 bytes long.
 Data: < &#236;&#182;L    0 &#183;L    > 80 EC B6 4C 1E 02 00 00 30 00 B7 4C 1E 02 00 00 
{70} normal block at 0x0000021E4CB6F860, 16 bytes long.
 Data: < &#234; &#145;&#246;           > 80 EA 10 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000021E4CB6EB40, 16 bytes long.
 Data: <@&#233; &#145;&#246;           > 40 E9 10 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000021E4CB6EA00, 16 bytes long.
 Data: <&#248;W &#145;&#246;           > F8 57 0D 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000021E4CB6F2C0, 16 bytes long.
 Data: <&#216;W &#145;&#246;           > D8 57 0D 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000021E4CB6EE60, 16 bytes long.
 Data: <P  &#145;&#246;           > 50 04 0D 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000021E4CB6EFA0, 16 bytes long.
 Data: <0  &#145;&#246;           > 30 04 0D 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000021E4CB6F270, 16 bytes long.
 Data: <&#224;  &#145;&#246;           > E0 02 0D 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000021E4CB6EEB0, 16 bytes long.
 Data: <   &#145;&#246;           > 10 04 0D 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000021E4CB6E960, 16 bytes long.
 Data: <p  &#145;&#246;           > 70 04 0D 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000021E4CB6F310, 16 bytes long.
 Data: < &#192; &#145;&#246;           > 18 C0 0B 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra