Task 38696491

Name test_309-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND1013_0
Workunit 31637122
Created 1 Nov 2026, 0:31:46 UTC
Sent 1 Nov 2026, 0:31:51 UTC
Report deadline 6 Nov 2026, 0:31:51 UTC
Received 1 Nov 2026, 1:28:28 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654967
Run time 53 min 10 sec
CPU time 52 min 24 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,332.26 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 651.93 MB
Peak swap size 6.82 GB
Peak disk usage 3.93 GB

Stderr output

<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
00:33:58 (3804): wrapper (7.9.26016): starting
00:33:58 (3804): 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
00:33:59 (3804): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:33:59 (3804): 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 'D:\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 'D:\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
01:26:30 (3804): C:/Windows/system32/cmd.exe exited; CPU time 3144.515625
01:26:30 (3804): called boinc_finish(0)
0 bytes in 0 Free Blocks.
656 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: 36858857 bytes.
Dumping objects ->
{3835313} normal block at 0x000001B725F37530, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835302} normal block at 0x000001B725F36F80, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835291} normal block at 0x000001B725F36B90, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835280} normal block at 0x000001B72442B6E0, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835269} normal block at 0x000001B72442B670, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835238} normal block at 0x000001B725EDBB20, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835227} normal block at 0x000001B724429880, 200 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) : {3835224} normal block at 0x000001B724426E40, 8 bytes long.
 Data: <  @$&#183;   > 00 00 40 24 B7 01 00 00 
{3834581} normal block at 0x000001B724429EE0, 200 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833947} normal block at 0x000001B724426DF0, 8 bytes long.
 Data: <&#192;j&#231;%&#183;   > C0 6A E7 25 B7 01 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x000001B724431190, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001B724415C50, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x000001B724432770, 16 bytes long.
 Data: < 6C$&#183;           > 88 36 43 24 B7 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001B724432720, 16 bytes long.
 Data: <`6C$&#183;           > 60 36 43 24 B7 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001B72442CF80, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x000001B724432CC0, 16 bytes long.
 Data: <86C$&#183;           > 38 36 43 24 B7 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001B7244320E0, 16 bytes long.
 Data: < 6C$&#183;           > 10 36 43 24 B7 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001B724432C20, 16 bytes long.
 Data: <&#232;5C$&#183;           > E8 35 43 24 B7 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001B7244326D0, 16 bytes long.
 Data: <&#192;5C$&#183;           > C0 35 43 24 B7 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001B72442B280, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x000001B724432680, 16 bytes long.
 Data: <&#232;[A$&#183;           > E8 5B 41 24 B7 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001B72442CFE0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x000001B724432090, 16 bytes long.
 Data: <&#192;[A$&#183;           > C0 5B 41 24 B7 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001B7244324A0, 16 bytes long.
 Data: < [A$&#183;           > 98 5B 41 24 B7 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001B724432A90, 16 bytes long.
 Data: <p[A$&#183;           > 70 5B 41 24 B7 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001B724432A40, 16 bytes long.
 Data: <H[A$&#183;           > 48 5B 41 24 B7 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001B724432EF0, 16 bytes long.
 Data: < [A$&#183;           > 20 5B 41 24 B7 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001B7244329F0, 16 bytes long.
 Data: <&#248;ZA$&#183;           > F8 5A 41 24 B7 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001B72442C620, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x000001B724432590, 16 bytes long.
 Data: <&#208;ZA$&#183;           > D0 5A 41 24 B7 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001B724415AD0, 320 bytes long.
 Data: < %C$&#183;    &#198;B$&#183;   > 90 25 43 24 B7 01 00 00 20 C6 42 24 B7 01 00 00 
{269} normal block at 0x000001B7244325E0, 16 bytes long.
 Data: <&#160;5C$&#183;           > A0 35 43 24 B7 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001B724432040, 16 bytes long.
 Data: <x5C$&#183;           > 78 35 43 24 B7 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001B72442D3A0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x000001B724432630, 16 bytes long.
 Data: <P5C$&#183;           > 50 35 43 24 B7 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001B72442C7A0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x000001B7244324F0, 16 bytes long.
 Data: < 4C$&#183;           > 98 34 43 24 B7 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001B724432860, 16 bytes long.
 Data: <p4C$&#183;           > 70 34 43 24 B7 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001B724432270, 16 bytes long.
 Data: <H4C$&#183;           > 48 34 43 24 B7 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001B724432810, 16 bytes long.
 Data: < 4C$&#183;           > 20 34 43 24 B7 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001B7244323B0, 16 bytes long.
 Data: <&#248;3C$&#183;           > F8 33 43 24 B7 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001B724432450, 16 bytes long.
 Data: <&#208;3C$&#183;           > D0 33 43 24 B7 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001B724432310, 16 bytes long.
 Data: <0&#177;B$&#183;           > 30 B1 42 24 B7 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001B72442B130, 40 bytes long.
 Data: < #C$&#183;    &#187;&#237;%&#183;   > 10 23 43 24 B7 01 00 00 20 BB ED 25 B7 01 00 00 
{255} normal block at 0x000001B724432220, 16 bytes long.
 Data: <&#176;3C$&#183;           > B0 33 43 24 B7 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001B724432950, 16 bytes long.
 Data: < 3C$&#183;           > 88 33 43 24 B7 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001B72442C9E0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x000001B724432180, 16 bytes long.
 Data: <`3C$&#183;           > 60 33 43 24 B7 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000001B724433360, 992 bytes long.
 Data: < !C$&#183;   &#224;&#201;B$&#183;   > 80 21 43 24 B7 01 00 00 E0 C9 42 24 B7 01 00 00 
{87} normal block at 0x000001B72442CE00, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x000001B724427250, 16 bytes long.
 Data: < &#181;B$&#183;           > 20 B5 42 24 B7 01 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x000001B72442B520, 40 bytes long.
 Data: <PrB$&#183;    &#206;B$&#183;   > 50 72 42 24 B7 01 00 00 00 CE 42 24 B7 01 00 00 
{64} normal block at 0x000001B724426C10, 16 bytes long.
 Data: < &#234;Z&#227;&#246;           > 80 EA 5A E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001B7244264E0, 16 bytes long.
 Data: <@&#233;Z&#227;&#246;           > 40 E9 5A E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001B724426AD0, 16 bytes long.
 Data: <&#248;WW&#227;&#246;           > F8 57 57 E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001B724426940, 16 bytes long.
 Data: <&#216;WW&#227;&#246;           > D8 57 57 E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001B724426DA0, 16 bytes long.
 Data: <P W&#227;&#246;           > 50 04 57 E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001B7244269E0, 16 bytes long.
 Data: <0 W&#227;&#246;           > 30 04 57 E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001B724426A80, 16 bytes long.
 Data: <&#224; W&#227;&#246;           > E0 02 57 E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001B724426990, 16 bytes long.
 Data: <  W&#227;&#246;           > 10 04 57 E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001B7244263A0, 16 bytes long.
 Data: <p W&#227;&#246;           > 70 04 57 E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001B724427020, 16 bytes long.
 Data: < &#192;U&#227;&#246;           > 18 C0 55 E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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