Task 38659004

Name test_1151-GPUGRID_TEST_ATM_2STEP_20261024-0-2-RND8843_0
Workunit 31602560
Created 24 Oct 2026, 13:12:59 UTC
Sent 24 Oct 2026, 14:23:50 UTC
Report deadline 29 Oct 2026, 14:23:50 UTC
Received 24 Oct 2026, 20:22:17 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652367
Run time 1 hours 30 min 13 sec
CPU time 1 hours 21 min 2 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 24,724.80 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 740.50 MB
Peak swap size 13.00 GB
Peak disk usage 3.35 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:00:49 (30368): wrapper (7.9.26016): starting
19:00:49 (30368): 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
19:00:54 (30368): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:00:54 (30368): 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\25\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\25\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
20:26:35 (30368): C:/Windows/system32/cmd.exe exited; CPU time 4862.734375
20:26:35 (30368): 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: 118784387 bytes.
Dumping objects ->
{3835530} normal block at 0x000001F69D30DAB0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835519} normal block at 0x000001F69D30DC00, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835508} normal block at 0x000001F69D30DD50, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835497} normal block at 0x000001F69B5D55D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835486} normal block at 0x000001F69B5D5560, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835455} normal block at 0x000001F69D355900, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835444} normal block at 0x000001F69D36F4D0, 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) : {3835441} normal block at 0x000001F69B5CE620, 8 bytes long.
 Data: <  &#167;&#155;&#246;   > 00 00 A7 9B F6 01 00 00 
{3834698} normal block at 0x000001F69D36EB30, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833969} normal block at 0x000001F69B5CE260, 8 bytes long.
 Data: <P&#233;j&#155;&#246;   > 50 E9 6A 9B F6 01 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000001F69B5D2380, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000001F69B5C7630, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x000001F69B5D63A0, 16 bytes long.
 Data: <hs]&#155;&#246;           > 68 73 5D 9B F6 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001F69B5D64E0, 16 bytes long.
 Data: <@s]&#155;&#246;           > 40 73 5D 9B F6 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001F69B5D07D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x000001F69B5D6EE0, 16 bytes long.
 Data: < s]&#155;&#246;           > 18 73 5D 9B F6 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001F69B5D60D0, 16 bytes long.
 Data: <&#240;r]&#155;&#246;           > F0 72 5D 9B F6 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001F69B5D6B20, 16 bytes long.
 Data: <&#200;r]&#155;&#246;           > C8 72 5D 9B F6 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001F69B5D6940, 16 bytes long.
 Data: <&#160;r]&#155;&#246;           > A0 72 5D 9B F6 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001F69B5D52C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x000001F69B5D6120, 16 bytes long.
 Data: <h&#250;[&#155;&#246;           > 68 FA 5B 9B F6 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001F69B5D0650, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x000001F69B5D6620, 16 bytes long.
 Data: <@&#250;[&#155;&#246;           > 40 FA 5B 9B F6 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001F69B5D6350, 16 bytes long.
 Data: < &#250;[&#155;&#246;           > 18 FA 5B 9B F6 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001F69B5D6440, 16 bytes long.
 Data: <&#240;&#249;[&#155;&#246;           > F0 F9 5B 9B F6 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001F69B5D6260, 16 bytes long.
 Data: <&#200;&#249;[&#155;&#246;           > C8 F9 5B 9B F6 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001F69B5D6DF0, 16 bytes long.
 Data: <&#160;&#249;[&#155;&#246;           > A0 F9 5B 9B F6 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001F69B5D6DA0, 16 bytes long.
 Data: <x&#249;[&#155;&#246;           > 78 F9 5B 9B F6 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001F69B5CFB70, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x000001F69B5D6080, 16 bytes long.
 Data: <P&#249;[&#155;&#246;           > 50 F9 5B 9B F6 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001F69B5BF950, 320 bytes long.
 Data: < `]&#155;&#246;   p&#251;\&#155;&#246;   > 80 60 5D 9B F6 01 00 00 70 FB 5C 9B F6 01 00 00 
{280} normal block at 0x000001F69B5D6FD0, 16 bytes long.
 Data: < r]&#155;&#246;           > 80 72 5D 9B F6 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001F69B5D6710, 16 bytes long.
 Data: <Xr]&#155;&#246;           > 58 72 5D 9B F6 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001F69B5CFD50, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x000001F69B5D6E90, 16 bytes long.
 Data: <0r]&#155;&#246;           > 30 72 5D 9B F6 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001F69B5D0470, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x000001F69B5D6D00, 16 bytes long.
 Data: <xq]&#155;&#246;           > 78 71 5D 9B F6 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001F69B5D6300, 16 bytes long.
 Data: <Pq]&#155;&#246;           > 50 71 5D 9B F6 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001F69B5D6670, 16 bytes long.
 Data: <(q]&#155;&#246;           > 28 71 5D 9B F6 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001F69B5D6990, 16 bytes long.
 Data: < q]&#155;&#246;           > 00 71 5D 9B F6 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001F69B5D65D0, 16 bytes long.
 Data: <&#216;p]&#155;&#246;           > D8 70 5D 9B F6 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001F69B5D6C60, 16 bytes long.
 Data: <&#176;p]&#155;&#246;           > B0 70 5D 9B F6 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001F69B5D68F0, 16 bytes long.
 Data: < W]&#155;&#246;           > 90 57 5D 9B F6 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001F69B5D5790, 40 bytes long.
 Data: <&#240;h]&#155;&#246;    Y5 &#246;   > F0 68 5D 9B F6 01 00 00 00 59 35 9D F6 01 00 00 
{266} normal block at 0x000001F69B5D6CB0, 16 bytes long.
 Data: < p]&#155;&#246;           > 90 70 5D 9B F6 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001F69B5D6A30, 16 bytes long.
 Data: <hp]&#155;&#246;           > 68 70 5D 9B F6 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001F69B5D0530, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x000001F69B5D62B0, 16 bytes long.
 Data: <@p]&#155;&#246;           > 40 70 5D 9B F6 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001F69B5D7040, 992 bytes long.
 Data: <&#176;b]&#155;&#246;   0 ]&#155;&#246;   > B0 62 5D 9B F6 01 00 00 30 05 5D 9B F6 01 00 00 
{98} normal block at 0x000001F69B5CFF90, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x000001F69B5CDD10, 16 bytes long.
 Data: < W]&#155;&#246;           > 20 57 5D 9B F6 01 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x000001F69B5D5720, 40 bytes long.
 Data: < &#221;\&#155;&#246;    &#255;\&#155;&#246;   > 10 DD 5C 9B F6 01 00 00 90 FF 5C 9B F6 01 00 00 
{75} normal block at 0x000001F69B5CE710, 16 bytes long.
 Data: < &#234;&#154; &#247;           > 80 EA 9A 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001F69B5CE6C0, 16 bytes long.
 Data: <@&#233;&#154; &#247;           > 40 E9 9A 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001F69B5CE490, 16 bytes long.
 Data: <&#248;W&#151; &#247;           > F8 57 97 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001F69B5CDB80, 16 bytes long.
 Data: <&#216;W&#151; &#247;           > D8 57 97 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001F69B5CE760, 16 bytes long.
 Data: <P &#151; &#247;           > 50 04 97 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001F69B5CDEF0, 16 bytes long.
 Data: <0 &#151; &#247;           > 30 04 97 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001F69B5CE0D0, 16 bytes long.
 Data: <&#224; &#151; &#247;           > E0 02 97 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001F69B5CE3F0, 16 bytes long.
 Data: <  &#151; &#247;           > 10 04 97 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001F69B5CDD60, 16 bytes long.
 Data: <p &#151; &#247;           > 70 04 97 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001F69B5CE210, 16 bytes long.
 Data: < &#192;&#149; &#247;           > 18 C0 95 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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