Task 38681561

Name test_399-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND4608_0
Workunit 31623222
Created 27 Oct 2026, 4:27:33 UTC
Sent 27 Oct 2026, 4:27:39 UTC
Report deadline 1 Nov 2026, 4:27:39 UTC
Received 27 Oct 2026, 7:50:25 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 563109
Run time 1 hours 44 min 4 sec
CPU time 1 hours 30 min 6 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,156.89 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 651.20 MB
Peak swap size 2.19 GB
Peak disk usage 3.74 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:08:42 (9116): wrapper (7.9.26016): starting
00:08:42 (9116): 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
00:08:45 (9116): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:08:45 (9116): 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\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 'C:\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
01:49:42 (9116): C:/Windows/system32/cmd.exe exited; CPU time 5406.968750
01:49:42 (9116): called boinc_finish(0)
0 bytes in 0 Free Blocks.
726 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: 65641551 bytes.
Dumping objects ->
{3835251} normal block at 0x000001C123365150, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835240} normal block at 0x000001C123364DD0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835229} normal block at 0x000001C123364C80, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835218} normal block at 0x000001C123364CF0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835207} normal block at 0x000001C123364C10, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835176} normal block at 0x000001C12324B540, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835165} normal block at 0x000001C121671DA0, 235 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) : {3835162} normal block at 0x000001C121666860, 8 bytes long.
 Data: <  b!&#193;   > 00 00 62 21 C1 01 00 00 
{3834555} normal block at 0x000001C121671ED0, 235 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833945} normal block at 0x000001C1216669F0, 8 bytes long.
 Data: < !n!&#193;   > 80 21 6E 21 C1 01 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000001C12166FE40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001C12165A560, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x000001C121671100, 16 bytes long.
 Data: <86g!&#193;           > 38 36 67 21 C1 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001C1216710B0, 16 bytes long.
 Data: < 6g!&#193;           > 10 36 67 21 C1 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001C12166CD30, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x000001C1216716A0, 16 bytes long.
 Data: <&#232;5g!&#193;           > E8 35 67 21 C1 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001C121671970, 16 bytes long.
 Data: <&#192;5g!&#193;           > C0 35 67 21 C1 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001C121670E80, 16 bytes long.
 Data: < 5g!&#193;           > 98 35 67 21 C1 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001C121671740, 16 bytes long.
 Data: <p5g!&#193;           > 70 35 67 21 C1 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001C12166B000, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x000001C121671600, 16 bytes long.
 Data: <8&#194;f!&#193;           > 38 C2 66 21 C1 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001C12166CF70, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x000001C121671560, 16 bytes long.
 Data: < &#194;f!&#193;           > 10 C2 66 21 C1 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001C121671060, 16 bytes long.
 Data: <&#232;&#193;f!&#193;           > E8 C1 66 21 C1 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001C1216716F0, 16 bytes long.
 Data: <&#192;&#193;f!&#193;           > C0 C1 66 21 C1 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001C121670ED0, 16 bytes long.
 Data: < &#193;f!&#193;           > 98 C1 66 21 C1 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001C121671470, 16 bytes long.
 Data: <p&#193;f!&#193;           > 70 C1 66 21 C1 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001C121670E30, 16 bytes long.
 Data: <H&#193;f!&#193;           > 48 C1 66 21 C1 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001C12166CF10, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x000001C121670DE0, 16 bytes long.
 Data: < &#193;f!&#193;           > 20 C1 66 21 C1 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001C12166C120, 320 bytes long.
 Data: <&#224; g!&#193;    &#207;f!&#193;   > E0 0D 67 21 C1 01 00 00 10 CF 66 21 C1 01 00 00 
{268} normal block at 0x000001C121671CE0, 16 bytes long.
 Data: <P5g!&#193;           > 50 35 67 21 C1 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001C121671380, 16 bytes long.
 Data: <(5g!&#193;           > 28 35 67 21 C1 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001C12166CBB0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x000001C121670FC0, 16 bytes long.
 Data: < 5g!&#193;           > 00 35 67 21 C1 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001C12166CB50, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x000001C121670D90, 16 bytes long.
 Data: <H4g!&#193;           > 48 34 67 21 C1 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001C121671510, 16 bytes long.
 Data: < 4g!&#193;           > 20 34 67 21 C1 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001C1216712E0, 16 bytes long.
 Data: <&#248;3g!&#193;           > F8 33 67 21 C1 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001C121671C90, 16 bytes long.
 Data: <&#208;3g!&#193;           > D0 33 67 21 C1 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001C121671BF0, 16 bytes long.
 Data: <&#168;3g!&#193;           > A8 33 67 21 C1 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001C121671A60, 16 bytes long.
 Data: < 3g!&#193;           > 80 33 67 21 C1 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001C121671BA0, 16 bytes long.
 Data: < &#182;f!&#193;           > 90 B6 66 21 C1 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001C12166B690, 40 bytes long.
 Data: <&#160; g!&#193;   @&#181;$#&#193;   > A0 1B 67 21 C1 01 00 00 40 B5 24 23 C1 01 00 00 
{254} normal block at 0x000001C1216711A0, 16 bytes long.
 Data: <`3g!&#193;           > 60 33 67 21 C1 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001C121671C40, 16 bytes long.
 Data: <83g!&#193;           > 38 33 67 21 C1 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001C12166C5B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x000001C121670F70, 16 bytes long.
 Data: < 3g!&#193;           > 10 33 67 21 C1 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000001C121673310, 992 bytes long.
 Data: <p g!&#193;   &#176;&#197;f!&#193;   > 70 0F 67 21 C1 01 00 00 B0 C5 66 21 C1 01 00 00 
{86} normal block at 0x000001C12166CD90, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x000001C1216663B0, 16 bytes long.
 Data: < &#182;f!&#193;           > 20 B6 66 21 C1 01 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x000001C12166B620, 40 bytes long.
 Data: <&#176;cf!&#193;    &#205;f!&#193;   > B0 63 66 21 C1 01 00 00 90 CD 66 21 C1 01 00 00 
{63} normal block at 0x000001C121666360, 16 bytes long.
 Data: < &#234;U/&#247;           > 80 EA 55 2F F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001C121666EF0, 16 bytes long.
 Data: <@&#233;U/&#247;           > 40 E9 55 2F F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001C121666950, 16 bytes long.
 Data: <&#248;WR/&#247;           > F8 57 52 2F F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001C121666310, 16 bytes long.
 Data: <&#216;WR/&#247;           > D8 57 52 2F F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001C1216662C0, 16 bytes long.
 Data: <P R/&#247;           > 50 04 52 2F F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001C121666F40, 16 bytes long.
 Data: <0 R/&#247;           > 30 04 52 2F F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001C121666E00, 16 bytes long.
 Data: <&#224; R/&#247;           > E0 02 52 2F F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001C1216670D0, 16 bytes long.
 Data: <  R/&#247;           > 10 04 52 2F F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001C121667080, 16 bytes long.
 Data: <p R/&#247;           > 70 04 52 2F F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000001C1216666D0, 16 bytes long.
 Data: < &#192;P/&#247;           > 18 C0 50 2F F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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