Task 38677946

Name test_720-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND7632_0
Workunit 31619795
Created 26 Oct 2026, 15:55:17 UTC
Sent 26 Oct 2026, 15:55:22 UTC
Report deadline 31 Oct 2026, 15:55:22 UTC
Received 26 Oct 2026, 18:04:59 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652006
Run time 43 min 18 sec
CPU time 42 min 40 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,302.18 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 726.99 MB
Peak swap size 12.89 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
10:20:54 (4024): wrapper (7.9.26016): starting
10:20:54 (4024): 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
10:20:55 (4024): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:20:55 (4024): 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
11:03:23 (4024): C:/Windows/system32/cmd.exe exited; CPU time 2560.812500
11:03:23 (4024): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 30990708 bytes.
Dumping objects ->
{3835270} normal block at 0x000001EA03F91200, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835259} normal block at 0x000001EA03F90DA0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835248} normal block at 0x000001EA03F90B00, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835237} normal block at 0x000001EA03F916D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835226} normal block at 0x000001EA03F90E10, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835195} normal block at 0x000001EA04083D70, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835184} normal block at 0x000001EA0409AD90, 85 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) : {3835181} normal block at 0x000001EA02466DE0, 8 bytes long.
 Data: <  &#208; &#234;   > 00 00 D0 03 EA 01 00 00 
{3834558} normal block at 0x000001EA0409B830, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833951} normal block at 0x000001EA024669D0, 8 bytes long.
 Data: <&#160;7  &#234;   > A0 37 0E 04 EA 01 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001EA02470310, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001EA02471210, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x000001EA02472070, 16 bytes long.
 Data: < ;G &#234;           > 88 3B 47 02 EA 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001EA024715D0, 16 bytes long.
 Data: <`;G &#234;           > 60 3B 47 02 EA 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001EA0246CF70, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x000001EA02471C10, 16 bytes long.
 Data: <8;G &#234;           > 38 3B 47 02 EA 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001EA02471990, 16 bytes long.
 Data: < ;G &#234;           > 10 3B 47 02 EA 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001EA02471620, 16 bytes long.
 Data: <&#232;:G &#234;           > E8 3A 47 02 EA 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001EA02472200, 16 bytes long.
 Data: <&#192;:G &#234;           > C0 3A 47 02 EA 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001EA0246AFF0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x000001EA02471940, 16 bytes long.
 Data: <h&#195;F &#234;           > 68 C3 46 02 EA 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001EA0246D270, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x000001EA02471800, 16 bytes long.
 Data: <@&#195;F &#234;           > 40 C3 46 02 EA 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001EA02472020, 16 bytes long.
 Data: < &#195;F &#234;           > 18 C3 46 02 EA 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001EA02471530, 16 bytes long.
 Data: <&#240;&#194;F &#234;           > F0 C2 46 02 EA 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001EA02471710, 16 bytes long.
 Data: <&#200;&#194;F &#234;           > C8 C2 46 02 EA 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001EA024717B0, 16 bytes long.
 Data: <&#160;&#194;F &#234;           > A0 C2 46 02 EA 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001EA02471A80, 16 bytes long.
 Data: <x&#194;F &#234;           > 78 C2 46 02 EA 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001EA0246CBB0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x000001EA024718F0, 16 bytes long.
 Data: <P&#194;F &#234;           > 50 C2 46 02 EA 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001EA0246C250, 320 bytes long.
 Data: <&#240; G &#234;   &#176;&#203;F &#234;   > F0 18 47 02 EA 01 00 00 B0 CB 46 02 EA 01 00 00 
{271} normal block at 0x000001EA02471DF0, 16 bytes long.
 Data: <&#160;:G &#234;           > A0 3A 47 02 EA 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001EA02471FD0, 16 bytes long.
 Data: <x:G &#234;           > 78 3A 47 02 EA 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001EA0246CA30, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x000001EA024714E0, 16 bytes long.
 Data: <P:G &#234;           > 50 3A 47 02 EA 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001EA0246CB50, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x000001EA02471670, 16 bytes long.
 Data: < 9G &#234;           > 98 39 47 02 EA 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001EA02471DA0, 16 bytes long.
 Data: <p9G &#234;           > 70 39 47 02 EA 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001EA02471E90, 16 bytes long.
 Data: <H9G &#234;           > 48 39 47 02 EA 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001EA02471B70, 16 bytes long.
 Data: < 9G &#234;           > 20 39 47 02 EA 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001EA02471D50, 16 bytes long.
 Data: <&#248;8G &#234;           > F8 38 47 02 EA 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001EA024722A0, 16 bytes long.
 Data: <&#208;8G &#234;           > D0 38 47 02 EA 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001EA02471D00, 16 bytes long.
 Data: < &#178;F &#234;           > 90 B2 46 02 EA 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001EA0246B290, 40 bytes long.
 Data: <  G &#234;   p=  &#234;   > 00 1D 47 02 EA 01 00 00 70 3D 08 04 EA 01 00 00 
{257} normal block at 0x000001EA024719E0, 16 bytes long.
 Data: <&#176;8G &#234;           > B0 38 47 02 EA 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001EA024721B0, 16 bytes long.
 Data: < 8G &#234;           > 88 38 47 02 EA 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001EA0246CE50, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x000001EA024723E0, 16 bytes long.
 Data: <`8G &#234;           > 60 38 47 02 EA 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001EA02473860, 992 bytes long.
 Data: <&#224;#G &#234;   P&#206;F &#234;   > E0 23 47 02 EA 01 00 00 50 CE 46 02 EA 01 00 00 
{89} normal block at 0x000001EA0246D2D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x000001EA02466660, 16 bytes long.
 Data: <p&#172;F &#234;           > 70 AC 46 02 EA 01 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000001EA0246AC70, 40 bytes long.
 Data: <`fF &#234;   &#208;&#210;F &#234;   > 60 66 46 02 EA 01 00 00 D0 D2 46 02 EA 01 00 00 
{66} normal block at 0x000001EA02466D90, 16 bytes long.
 Data: < &#234;L7&#246;           > 80 EA 4C 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001EA02466930, 16 bytes long.
 Data: <@&#233;L7&#246;           > 40 E9 4C 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001EA02466B60, 16 bytes long.
 Data: <&#248;WI7&#246;           > F8 57 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001EA02466200, 16 bytes long.
 Data: <&#216;WI7&#246;           > D8 57 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001EA02466D40, 16 bytes long.
 Data: <P I7&#246;           > 50 04 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001EA02466CA0, 16 bytes long.
 Data: <0 I7&#246;           > 30 04 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001EA02466250, 16 bytes long.
 Data: <&#224; I7&#246;           > E0 02 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001EA02466C50, 16 bytes long.
 Data: <  I7&#246;           > 10 04 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001EA024661B0, 16 bytes long.
 Data: <p I7&#246;           > 70 04 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001EA02466160, 16 bytes long.
 Data: < &#192;G7&#246;           > 18 C0 47 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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