Task 38697416

Name test_514-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND2434_0
Workunit 31637997
Created 1 Nov 2026, 14:13:50 UTC
Sent 1 Nov 2026, 14:13:55 UTC
Report deadline 6 Nov 2026, 14:13:55 UTC
Received 1 Nov 2026, 17:43:19 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654967
Run time 53 min 27 sec
CPU time 53 min 27 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 657.15 MB
Peak swap size 6.83 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
16:48:03 (5924): wrapper (7.9.26016): starting
16:48:03 (5924): 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
16:48:04 (5924): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:48:04 (5924): 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
17:40:37 (5924): C:/Windows/system32/cmd.exe exited; CPU time 3207.328125
17:40:37 (5924): 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: 37269859 bytes.
Dumping objects ->
{3835313} normal block at 0x0000024647206910, 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 0x0000024647206980, 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 0x0000024647206830, 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 0x000002464552B550, 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 0x000002464552B630, 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 0x00000246471AB120, 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 0x00000246455296C0, 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 0x0000024645527150, 8 bytes long.
 Data: <  MEF   > 00 00 4D 45 46 02 00 00 
{3834581} normal block at 0x0000024645529170, 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 0x00000246455263E0, 8 bytes long.
 Data: <pW GF   > 70 57 10 47 46 02 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x00000246455310E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000024645515C50, 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 0x00000246455322B0, 16 bytes long.
 Data: <&#216;5SEF           > D8 35 53 45 46 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000024645532210, 16 bytes long.
 Data: <&#176;5SEF           > B0 35 53 45 46 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002464552C930, 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 0x00000246455321C0, 16 bytes long.
 Data: < 5SEF           > 88 35 53 45 46 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000246455324E0, 16 bytes long.
 Data: <`5SEF           > 60 35 53 45 46 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000024645532170, 16 bytes long.
 Data: <85SEF           > 38 35 53 45 46 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000024645532120, 16 bytes long.
 Data: < 5SEF           > 10 35 53 45 46 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002464552B1D0, 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 0x0000024645531FE0, 16 bytes long.
 Data: <&#232;[QEF           > E8 5B 51 45 46 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002464552CE70, 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 0x00000246455325D0, 16 bytes long.
 Data: <&#192;[QEF           > C0 5B 51 45 46 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000024645532DA0, 16 bytes long.
 Data: < [QEF           > 98 5B 51 45 46 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000024645532C10, 16 bytes long.
 Data: <p[QEF           > 70 5B 51 45 46 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000024645532A80, 16 bytes long.
 Data: <H[QEF           > 48 5B 51 45 46 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000024645531F40, 16 bytes long.
 Data: < [QEF           > 20 5B 51 45 46 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000024645532670, 16 bytes long.
 Data: <&#248;ZQEF           > F8 5A 51 45 46 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002464552C630, 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 0x0000024645532A30, 16 bytes long.
 Data: <&#208;ZQEF           > D0 5A 51 45 46 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000024645515AD0, 320 bytes long.
 Data: <0*SEF   0&#198;REF   > 30 2A 53 45 46 02 00 00 30 C6 52 45 46 02 00 00 
{269} normal block at 0x0000024645532080, 16 bytes long.
 Data: <&#240;4SEF           > F0 34 53 45 46 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000024645532030, 16 bytes long.
 Data: <&#200;4SEF           > C8 34 53 45 46 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002464552D290, 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 0x00000246455329E0, 16 bytes long.
 Data: <&#160;4SEF           > A0 34 53 45 46 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002464552D3B0, 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 0x0000024645532C60, 16 bytes long.
 Data: <&#232;3SEF           > E8 33 53 45 46 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000246455328F0, 16 bytes long.
 Data: <&#192;3SEF           > C0 33 53 45 46 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000246455328A0, 16 bytes long.
 Data: < 3SEF           > 98 33 53 45 46 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000024645532BC0, 16 bytes long.
 Data: <p3SEF           > 70 33 53 45 46 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000024645532E40, 16 bytes long.
 Data: <H3SEF           > 48 33 53 45 46 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000024645532B70, 16 bytes long.
 Data: < 3SEF           > 20 33 53 45 46 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000024645532300, 16 bytes long.
 Data: <&#176;&#178;REF           > B0 B2 52 45 46 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002464552B2B0, 40 bytes long.
 Data: < #SEF    &#177; GF   > 00 23 53 45 46 02 00 00 20 B1 1A 47 46 02 00 00 
{255} normal block at 0x0000024645532800, 16 bytes long.
 Data: < 3SEF           > 00 33 53 45 46 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000024645532AD0, 16 bytes long.
 Data: <&#216;2SEF           > D8 32 53 45 46 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000002464552D0B0, 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 0x0000024645532D50, 16 bytes long.
 Data: <&#176;2SEF           > B0 32 53 45 46 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x00000246455332B0, 992 bytes long.
 Data: <P-SEF   &#176;&#208;REF   > 50 2D 53 45 46 02 00 00 B0 D0 52 45 46 02 00 00 
{87} normal block at 0x000002464552C9F0, 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 0x0000024645526ED0, 16 bytes long.
 Data: <`&#177;REF           > 60 B1 52 45 46 02 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x000002464552B160, 40 bytes long.
 Data: <&#208;nREF   &#240;&#201;REF   > D0 6E 52 45 46 02 00 00 F0 C9 52 45 46 02 00 00 
{64} normal block at 0x0000024645526570, 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 0x00000246455270B0, 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 0x0000024645526AC0, 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 0x00000246455262F0, 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 0x00000246455264D0, 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 0x0000024645527060, 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 0x00000246455271A0, 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 0x0000024645526750, 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 0x0000024645526F70, 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 0x0000024645526480, 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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