Task 38684407

Name test_51-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND5673_0
Workunit 31625922
Created 27 Oct 2026, 16:11:32 UTC
Sent 27 Oct 2026, 16:11:37 UTC
Report deadline 1 Nov 2026, 16:11:37 UTC
Received 27 Oct 2026, 18:13:36 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 627984
Run time 35 min 30 sec
CPU time 35 min 30 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 14,104.10 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 722.45 MB
Peak swap size 14.33 GB
Peak disk usage 3.93 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:37:37 (12828): wrapper (7.9.26016): starting
19:37:37 (12828): 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
19:37:39 (12828): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:37:39 (12828): 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\21\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\21\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
20:12:46 (12828): C:/Windows/system32/cmd.exe exited; CPU time 2130.796875
20:12:46 (12828): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 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: 48046363 bytes.
Dumping objects ->
{3835235} normal block at 0x000002A2C6861E50, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835224} normal block at 0x000002A2C6861D00, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835213} normal block at 0x000002A2C6861050, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835202} normal block at 0x000002A2C6860FE0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835191} normal block at 0x000002A2C6861590, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835160} normal block at 0x000002A2C6956D80, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835149} normal block at 0x000002A2C4BBD5D0, 180 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) : {3835145} normal block at 0x000002A2C4BD12B0, 8 bytes long.
 Data: <  &#172;&#196;&#162;   > 00 00 AC C4 A2 02 00 00 
{3834543} normal block at 0x000002A2C4BBD4E0, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833943} normal block at 0x000002A2C4BD14E0, 8 bytes long.
 Data: <  &#155;&#198;&#162;   > 20 0F 9B C6 A2 02 00 00 
..\zip\boinc_zip.cpp(122) : {303} normal block at 0x000002A2C4BD20A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002A2C4BBAD40, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{287} normal block at 0x000002A2C4BC8890, 16 bytes long.
 Data: < A&#189;&#196;&#162;           > 98 41 BD C4 A2 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002A2C4BC8840, 16 bytes long.
 Data: <pA&#189;&#196;&#162;           > 70 41 BD C4 A2 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002A2C4BCE430, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{284} normal block at 0x000002A2C4BC87F0, 16 bytes long.
 Data: <HA&#189;&#196;&#162;           > 48 41 BD C4 A2 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002A2C4BC8750, 16 bytes long.
 Data: < A&#189;&#196;&#162;           > 20 41 BD C4 A2 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002A2C4BC8700, 16 bytes long.
 Data: <&#248;@&#189;&#196;&#162;           > F8 40 BD C4 A2 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002A2C4BC8660, 16 bytes long.
 Data: <&#208;@&#189;&#196;&#162;           > D0 40 BD C4 A2 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002A2C4BCC9A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{279} normal block at 0x000002A2C4BC85C0, 16 bytes long.
 Data: <&#216;[&#187;&#196;&#162;           > D8 5B BB C4 A2 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002A2C4BCD9B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{277} normal block at 0x000002A2C4BC8570, 16 bytes long.
 Data: <&#176;[&#187;&#196;&#162;           > B0 5B BB C4 A2 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002A2C4BC7C10, 16 bytes long.
 Data: < [&#187;&#196;&#162;           > 88 5B BB C4 A2 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002A2C4BC7FD0, 16 bytes long.
 Data: <`[&#187;&#196;&#162;           > 60 5B BB C4 A2 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002A2C4BC7A30, 16 bytes long.
 Data: <8[&#187;&#196;&#162;           > 38 5B BB C4 A2 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002A2C4BD1490, 16 bytes long.
 Data: < [&#187;&#196;&#162;           > 10 5B BB C4 A2 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002A2C4BD1440, 16 bytes long.
 Data: <&#232;Z&#187;&#196;&#162;           > E8 5A BB C4 A2 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002A2C4BCDE30, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{269} normal block at 0x000002A2C4BD1850, 16 bytes long.
 Data: <&#192;Z&#187;&#196;&#162;           > C0 5A BB C4 A2 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002A2C4BB5AC0, 320 bytes long.
 Data: <P &#189;&#196;&#162;   0&#222;&#188;&#196;&#162;   > 50 18 BD C4 A2 02 00 00 30 DE BC C4 A2 02 00 00 
{267} normal block at 0x000002A2C4BD1800, 16 bytes long.
 Data: <&#176;@&#189;&#196;&#162;           > B0 40 BD C4 A2 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002A2C4BD1990, 16 bytes long.
 Data: < @&#189;&#196;&#162;           > 88 40 BD C4 A2 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002A2C4BCE5B0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{264} normal block at 0x000002A2C4BD1710, 16 bytes long.
 Data: <`@&#189;&#196;&#162;           > 60 40 BD C4 A2 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002A2C4BCE2B0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{262} normal block at 0x000002A2C4BD1300, 16 bytes long.
 Data: <&#168;?&#189;&#196;&#162;           > A8 3F BD C4 A2 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002A2C4BD17B0, 16 bytes long.
 Data: <&#128;?&#189;&#196;&#162;           > 80 3F BD C4 A2 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002A2C4BD1260, 16 bytes long.
 Data: <X?&#189;&#196;&#162;           > 58 3F BD C4 A2 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002A2C4BD1350, 16 bytes long.
 Data: <0?&#189;&#196;&#162;           > 30 3F BD C4 A2 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002A2C4BD16C0, 16 bytes long.
 Data: < ?&#189;&#196;&#162;           > 08 3F BD C4 A2 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002A2C4BD1670, 16 bytes long.
 Data: <&#224;>&#189;&#196;&#162;           > E0 3E BD C4 A2 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002A2C4BD1940, 16 bytes long.
 Data: <&#240;&#202;&#188;&#196;&#162;           > F0 CA BC C4 A2 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002A2C4BCCAF0, 40 bytes long.
 Data: <@ &#189;&#196;&#162;   &#128;m&#149;&#198;&#162;   > 40 19 BD C4 A2 02 00 00 80 6D 95 C6 A2 02 00 00 
{253} normal block at 0x000002A2C4BD1760, 16 bytes long.
 Data: <&#192;>&#189;&#196;&#162;           > C0 3E BD C4 A2 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000002A2C4BD18A0, 16 bytes long.
 Data: < >&#189;&#196;&#162;           > 98 3E BD C4 A2 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000002A2C4BCE550, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{250} normal block at 0x000002A2C4BD18F0, 16 bytes long.
 Data: <p>&#189;&#196;&#162;           > 70 3E BD C4 A2 02 00 00 00 00 00 00 00 00 00 00 
{249} normal block at 0x000002A2C4BD3E70, 992 bytes long.
 Data: <&#240; &#189;&#196;&#162;   P&#229;&#188;&#196;&#162;   > F0 18 BD C4 A2 02 00 00 50 E5 BC C4 A2 02 00 00 
{85} normal block at 0x000002A2C4BCE490, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{84} normal block at 0x000002A2C4BC88E0, 16 bytes long.
 Data: <p&#199;&#188;&#196;&#162;           > 70 C7 BC C4 A2 02 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x000002A2C4BCC770, 40 bytes long.
 Data: <&#224; &#188;&#196;&#162;   &#144;&#228;&#188;&#196;&#162;   > E0 88 BC C4 A2 02 00 00 90 E4 BC C4 A2 02 00 00 
{62} normal block at 0x000002A2C4BC8250, 16 bytes long.
 Data: <&#128;&#234;&#210;~&#246;           > 80 EA D2 7E F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002A2C4BC82A0, 16 bytes long.
 Data: <@&#233;&#210;~&#246;           > 40 E9 D2 7E F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002A2C4BC8160, 16 bytes long.
 Data: <&#248;W&#207;~&#246;           > F8 57 CF 7E F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002A2C4BC7AD0, 16 bytes long.
 Data: <&#216;W&#207;~&#246;           > D8 57 CF 7E F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002A2C4BC7F30, 16 bytes long.
 Data: <P &#207;~&#246;           > 50 04 CF 7E F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002A2C4BC7EE0, 16 bytes long.
 Data: <0 &#207;~&#246;           > 30 04 CF 7E F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000002A2C4BC82F0, 16 bytes long.
 Data: <&#224; &#207;~&#246;           > E0 02 CF 7E F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000002A2C4BC84D0, 16 bytes long.
 Data: <  &#207;~&#246;           > 10 04 CF 7E F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000002A2C4BC7E90, 16 bytes long.
 Data: <p &#207;~&#246;           > 70 04 CF 7E F6 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x000002A2C4BC7DA0, 16 bytes long.
 Data: < &#192;&#205;~&#246;           > 18 C0 CD 7E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra