Task 38686102

Name test_826-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND5332_0
Workunit 31627545
Created 28 Oct 2026, 0:41:24 UTC
Sent 28 Oct 2026, 0:41:26 UTC
Report deadline 2 Nov 2026, 0:41:26 UTC
Received 28 Oct 2026, 1:19:09 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 535048
Run time 36 min 58 sec
CPU time 32 min 41 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,356.59 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 746.58 MB
Peak swap size 13.05 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
17:42:24 (15576): wrapper (7.9.26016): starting
17:42:24 (15576): 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
17:42:25 (15576): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:42:25 (15576): 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
18:18:32 (15576): C:/Windows/system32/cmd.exe exited; CPU time 1961.937500
18:18:32 (15576): 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: 29934369 bytes.
Dumping objects ->
{3835318} normal block at 0x000001BEE37E4D60, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835307} normal block at 0x000001BEE37E4CF0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835296} normal block at 0x000001BEE37E4C80, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835285} normal block at 0x000001BEE37E4BA0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835274} normal block at 0x000001BEE37E4B30, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835243} normal block at 0x000001BEE55BBBA0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835232} normal block at 0x000001BEE55CE660, 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) : {3835229} normal block at 0x000001BEE37DF860, 8 bytes long.
 Data: <  z&#227;&#190;   > 00 00 7A E3 BE 01 00 00 
{3834578} normal block at 0x000001BEE55CE5B0, 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 0x000001BEE37DED20, 8 bytes long.
 Data: < Td&#229;&#190;   > 80 54 64 E5 BE 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001BEE37E1600, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001BEE37D69C0, 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 0x000001BEE37E5B40, 16 bytes long.
 Data: <&#216;h~&#227;&#190;           > D8 68 7E E3 BE 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001BEE37E5780, 16 bytes long.
 Data: <&#176;h~&#227;&#190;           > B0 68 7E E3 BE 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001BEE37DFFF0, 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 0x000001BEE37E59B0, 16 bytes long.
 Data: < h~&#227;&#190;           > 88 68 7E E3 BE 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001BEE37E61D0, 16 bytes long.
 Data: <`h~&#227;&#190;           > 60 68 7E E3 BE 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001BEE37E62C0, 16 bytes long.
 Data: <8h~&#227;&#190;           > 38 68 7E E3 BE 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001BEE37E5CD0, 16 bytes long.
 Data: < h~&#227;&#190;           > 10 68 7E E3 BE 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001BEE37E4DD0, 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 0x000001BEE37E57D0, 16 bytes long.
 Data: <H&#232;}&#227;&#190;           > 48 E8 7D E3 BE 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001BEE37E02F0, 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 0x000001BEE37E5EB0, 16 bytes long.
 Data: < &#232;}&#227;&#190;           > 20 E8 7D E3 BE 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001BEE37E5960, 16 bytes long.
 Data: <&#248;&#231;}&#227;&#190;           > F8 E7 7D E3 BE 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001BEE37E5B90, 16 bytes long.
 Data: <&#208;&#231;}&#227;&#190;           > D0 E7 7D E3 BE 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001BEE37E6040, 16 bytes long.
 Data: <&#168;&#231;}&#227;&#190;           > A8 E7 7D E3 BE 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001BEE37E6220, 16 bytes long.
 Data: < &#231;}&#227;&#190;           > 80 E7 7D E3 BE 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001BEE37E5D70, 16 bytes long.
 Data: <X&#231;}&#227;&#190;           > 58 E7 7D E3 BE 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001BEE37E0530, 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 0x000001BEE37E5E60, 16 bytes long.
 Data: <0&#231;}&#227;&#190;           > 30 E7 7D E3 BE 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001BEE37DE730, 320 bytes long.
 Data: <`^~&#227;&#190;   0 ~&#227;&#190;   > 60 5E 7E E3 BE 01 00 00 30 05 7E E3 BE 01 00 00 
{276} normal block at 0x000001BEE37E5AA0, 16 bytes long.
 Data: <&#240;g~&#227;&#190;           > F0 67 7E E3 BE 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001BEE37E5D20, 16 bytes long.
 Data: <&#200;g~&#227;&#190;           > C8 67 7E E3 BE 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001BEE37DFF90, 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 0x000001BEE37E5FA0, 16 bytes long.
 Data: <&#160;g~&#227;&#190;           > A0 67 7E E3 BE 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001BEE37E0950, 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 0x000001BEE37E6090, 16 bytes long.
 Data: <&#232;f~&#227;&#190;           > E8 66 7E E3 BE 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001BEE37E5E10, 16 bytes long.
 Data: <&#192;f~&#227;&#190;           > C0 66 7E E3 BE 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001BEE37E5640, 16 bytes long.
 Data: < f~&#227;&#190;           > 98 66 7E E3 BE 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001BEE37E6310, 16 bytes long.
 Data: <pf~&#227;&#190;           > 70 66 7E E3 BE 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001BEE37E5AF0, 16 bytes long.
 Data: <Hf~&#227;&#190;           > 48 66 7E E3 BE 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001BEE37E5BE0, 16 bytes long.
 Data: < f~&#227;&#190;           > 20 66 7E E3 BE 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001BEE37E6450, 16 bytes long.
 Data: <&#224;I~&#227;&#190;           > E0 49 7E E3 BE 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001BEE37E49E0, 40 bytes long.
 Data: <Pd~&#227;&#190;   &#160;&#187;[&#229;&#190;   > 50 64 7E E3 BE 01 00 00 A0 BB 5B E5 BE 01 00 00 
{262} normal block at 0x000001BEE37E55F0, 16 bytes long.
 Data: < f~&#227;&#190;           > 00 66 7E E3 BE 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001BEE37E5A00, 16 bytes long.
 Data: <&#216;e~&#227;&#190;           > D8 65 7E E3 BE 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001BEE37E0590, 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 0x000001BEE37E5C80, 16 bytes long.
 Data: <&#176;e~&#227;&#190;           > B0 65 7E E3 BE 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001BEE37E65B0, 992 bytes long.
 Data: < \~&#227;&#190;     ~&#227;&#190;   > 80 5C 7E E3 BE 01 00 00 90 05 7E E3 BE 01 00 00 
{94} normal block at 0x000001BEE37E0110, 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 0x000001BEE37DF7C0, 16 bytes long.
 Data: < &#231;|&#227;&#190;           > 00 E7 7C E3 BE 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001BEE37CE700, 40 bytes long.
 Data: <&#192;&#247;}&#227;&#190;     ~&#227;&#190;   > C0 F7 7D E3 BE 01 00 00 10 01 7E E3 BE 01 00 00 
{71} normal block at 0x000001BEE37DEC80, 16 bytes long.
 Data: < &#234;&#235;&#207;&#247;           > 80 EA EB CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001BEE37DF450, 16 bytes long.
 Data: <@&#233;&#235;&#207;&#247;           > 40 E9 EB CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001BEE37DF040, 16 bytes long.
 Data: <&#248;W&#232;&#207;&#247;           > F8 57 E8 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001BEE37DEB90, 16 bytes long.
 Data: <&#216;W&#232;&#207;&#247;           > D8 57 E8 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001BEE37DEFF0, 16 bytes long.
 Data: <P &#232;&#207;&#247;           > 50 04 E8 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001BEE37DEE10, 16 bytes long.
 Data: <0 &#232;&#207;&#247;           > 30 04 E8 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001BEE37DF5E0, 16 bytes long.
 Data: <&#224; &#232;&#207;&#247;           > E0 02 E8 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001BEE37DF6D0, 16 bytes long.
 Data: <  &#232;&#207;&#247;           > 10 04 E8 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001BEE37DF0E0, 16 bytes long.
 Data: <p &#232;&#207;&#247;           > 70 04 E8 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001BEE37DF270, 16 bytes long.
 Data: < &#192;&#230;&#207;&#247;           > 18 C0 E6 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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