Task 38671182

Name test_497-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND2344_0
Workunit 31613394
Created 25 Oct 2026, 19:45:11 UTC
Sent 25 Oct 2026, 19:45:15 UTC
Report deadline 30 Oct 2026, 19:45:15 UTC
Received 25 Oct 2026, 21:04:03 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 629400
Run time 1 hours 4 min 49 sec
CPU time 1 hours 2 min
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,377.36 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 699.25 MB
Peak swap size 2.04 GB
Peak disk usage 3.76 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:59:16 (16072): wrapper (7.9.26016): starting
21:59:16 (16072): 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
21:59:18 (16072): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:59:18 (16072): 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 'E:\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 'E:\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
23:03:10 (16072): C:/Windows/system32/cmd.exe exited; CPU time 3720.515625
23:03:10 (16072): called boinc_finish(0)
0 bytes in 0 Free Blocks.
346 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: 48336072 bytes.
Dumping objects ->
{3835460} normal block at 0x00000221742E5A40, 48 bytes long.
 Data: <PATH=E:\Boinc\sl> 50 41 54 48 3D 45 3A 5C 42 6F 69 6E 63 5C 73 6C 
{3835449} normal block at 0x0000022176553AA0, 32 bytes long.
 Data: <HOME=E:\Boinc\sl> 48 4F 4D 45 3D 45 3A 5C 42 6F 69 6E 63 5C 73 6C 
{3835438} normal block at 0x00000221765533E0, 32 bytes long.
 Data: <TMP=E:\Boinc\slo> 54 4D 50 3D 45 3A 5C 42 6F 69 6E 63 5C 73 6C 6F 
{3835427} normal block at 0x00000221765535C0, 32 bytes long.
 Data: <TEMP=E:\Boinc\sl> 54 45 4D 50 3D 45 3A 5C 42 6F 69 6E 63 5C 73 6C 
{3835416} normal block at 0x00000221765542E0, 32 bytes long.
 Data: <TMPDIR=E:\Boinc\> 54 4D 50 44 49 52 3D 45 3A 5C 42 6F 69 6E 63 5C 
{3835385} normal block at 0x00000221742E5F80, 48 bytes long.
 Data: <PATH=E:\Boinc\sl> 50 41 54 48 3D 45 3A 5C 42 6F 69 6E 63 5C 73 6C 
{3835374} normal block at 0x00000221764BB550, 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) : {3835371} normal block at 0x00000221742B7330, 8 bytes long.
 Data: <  Gt!   > 00 00 47 74 21 02 00 00 
{3834651} normal block at 0x00000221764BB410, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833949} normal block at 0x00000221742B7600, 8 bytes long.
 Data: < YUv!   > 80 59 55 76 21 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x00000221742C08A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000221742A8CD0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x00000221742C21A0, 16 bytes long.
 Data: < 1,t!           > 08 31 2C 74 21 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000221742C2600, 16 bytes long.
 Data: <&#224;0,t!           > E0 30 2C 74 21 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000221742BC140, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x00000221742C2100, 16 bytes long.
 Data: <&#184;0,t!           > B8 30 2C 74 21 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000221742C25B0, 16 bytes long.
 Data: < 0,t!           > 90 30 2C 74 21 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000221742C20B0, 16 bytes long.
 Data: <h0,t!           > 68 30 2C 74 21 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000221742C2560, 16 bytes long.
 Data: <@0,t!           > 40 30 2C 74 21 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000221742BD900, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x00000221742C2060, 16 bytes long.
 Data: <H&#192;*t!           > 48 C0 2A 74 21 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000221742BBBA0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x00000221742C2150, 16 bytes long.
 Data: < &#192;*t!           > 20 C0 2A 74 21 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000221742C2010, 16 bytes long.
 Data: <&#248;&#191;*t!           > F8 BF 2A 74 21 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000221742C2650, 16 bytes long.
 Data: <&#208;&#191;*t!           > D0 BF 2A 74 21 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000221742C24C0, 16 bytes long.
 Data: <&#168;&#191;*t!           > A8 BF 2A 74 21 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000221742C2880, 16 bytes long.
 Data: < &#191;*t!           > 80 BF 2A 74 21 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000221742C1BB0, 16 bytes long.
 Data: <X&#191;*t!           > 58 BF 2A 74 21 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000221742BBA80, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{272} normal block at 0x00000221742C1B10, 16 bytes long.
 Data: <0&#191;*t!           > 30 BF 2A 74 21 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000221742ABF30, 320 bytes long.
 Data: <  ,t!    &#186;+t!   > 10 1B 2C 74 21 02 00 00 80 BA 2B 74 21 02 00 00 
{270} normal block at 0x00000221742C23D0, 16 bytes long.
 Data: < 0,t!           > 20 30 2C 74 21 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000221742C28D0, 16 bytes long.
 Data: <&#248;/,t!           > F8 2F 2C 74 21 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000221742BBD80, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x00000221742C1FC0, 16 bytes long.
 Data: <&#208;/,t!           > D0 2F 2C 74 21 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000221742BBAE0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x00000221742C1E30, 16 bytes long.
 Data: < /,t!           > 18 2F 2C 74 21 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000221742C1D90, 16 bytes long.
 Data: <&#240;.,t!           > F0 2E 2C 74 21 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000221742C1DE0, 16 bytes long.
 Data: <&#200;.,t!           > C8 2E 2C 74 21 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000221742C1C50, 16 bytes long.
 Data: <&#160;.,t!           > A0 2E 2C 74 21 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000221742C1B60, 16 bytes long.
 Data: <x.,t!           > 78 2E 2C 74 21 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000221742C2790, 16 bytes long.
 Data: <P.,t!           > 50 2E 2C 74 21 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000221742C1CF0, 16 bytes long.
 Data: <&#176;&#215;+t!           > B0 D7 2B 74 21 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000221742BD7B0, 40 bytes long.
 Data: <&#240; ,t!    _.t!   > F0 1C 2C 74 21 02 00 00 80 5F 2E 74 21 02 00 00 
{256} normal block at 0x00000221742C2470, 16 bytes long.
 Data: <0.,t!           > 30 2E 2C 74 21 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000221742C2420, 16 bytes long.
 Data: < .,t!           > 08 2E 2C 74 21 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000221742BBA20, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x00000221742C1F20, 16 bytes long.
 Data: <&#224;-,t!           > E0 2D 2C 74 21 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x00000221742C2DE0, 992 bytes long.
 Data: <  ,t!    &#186;+t!   > 20 1F 2C 74 21 02 00 00 20 BA 2B 74 21 02 00 00 
{88} normal block at 0x00000221742BC6E0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x00000221742B72E0, 16 bytes long.
 Data: < &#216;+t!           > 20 D8 2B 74 21 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x00000221742BD820, 40 bytes long.
 Data: <&#224;r+t!   &#224;&#198;+t!   > E0 72 2B 74 21 02 00 00 E0 C6 2B 74 21 02 00 00 
{65} normal block at 0x00000221742B7470, 16 bytes long.
 Data: < &#234;[[&#247;           > 80 EA 5B 5B F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000221742B7240, 16 bytes long.
 Data: <@&#233;[[&#247;           > 40 E9 5B 5B F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000221742B7510, 16 bytes long.
 Data: <&#248;WX[&#247;           > F8 57 58 5B F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000221742B71A0, 16 bytes long.
 Data: <&#216;WX[&#247;           > D8 57 58 5B F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000221742B7150, 16 bytes long.
 Data: <P X[&#247;           > 50 04 58 5B F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000221742B6C50, 16 bytes long.
 Data: <0 X[&#247;           > 30 04 58 5B F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000221742B7A10, 16 bytes long.
 Data: <&#224; X[&#247;           > E0 02 58 5B F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000221742B7920, 16 bytes long.
 Data: <  X[&#247;           > 10 04 58 5B F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000221742B6DE0, 16 bytes long.
 Data: <p X[&#247;           > 70 04 58 5B F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000221742B6F20, 16 bytes long.
 Data: < &#192;V[&#247;           > 18 C0 56 5B F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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