Task 38662031

Name test_801-GPUGRID_TEST_ATM_40STEP_20261023-6-40-RND9835_1
Workunit 31605248
Created 24 Oct 2026, 16:47:32 UTC
Sent 24 Oct 2026, 16:56:31 UTC
Report deadline 29 Oct 2026, 16:56:31 UTC
Received 24 Oct 2026, 22:49:02 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 517637
Run time 46 min 46 sec
CPU time 46 min 46 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,030.17 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 713.24 MB
Peak swap size 9.74 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
18:59:22 (30432): wrapper (7.9.26016): starting
18:59:22 (30432): 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
18:59:23 (30432): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:59:23 (30432): 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\16\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\16\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
19:46:20 (30432): C:/Windows/system32/cmd.exe exited; CPU time 2806.453125
19:46:20 (30432): 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: 48378513 bytes.
Dumping objects ->
{3835363} normal block at 0x000001423B38B910, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835352} normal block at 0x000001423B38B8A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835341} normal block at 0x000001423B364B20, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835330} normal block at 0x000001423B3650D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835319} normal block at 0x000001423B364AB0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835288} normal block at 0x000001423D115F40, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835277} normal block at 0x000001423D168810, 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) : {3835274} normal block at 0x000001423B35F350, 8 bytes long.
 Data: <  1;B   > 00 00 31 3B 42 01 00 00 
{3834606} normal block at 0x000001423D168A20, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x000001423B35F8F0, 8 bytes long.
 Data: <`J =B   > 60 4A 1A 3D 42 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001423B360BF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001423B3568F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x000001423B365D60, 16 bytes long.
 Data: <&#200;h6;B           > C8 68 36 3B 42 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001423B365A90, 16 bytes long.
 Data: <&#160;h6;B           > A0 68 36 3B 42 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001423B35FDA0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x000001423B3659F0, 16 bytes long.
 Data: <xh6;B           > 78 68 36 3B 42 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001423B365C70, 16 bytes long.
 Data: <Ph6;B           > 50 68 36 3B 42 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001423B365A40, 16 bytes long.
 Data: <(h6;B           > 28 68 36 3B 42 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001423B365F90, 16 bytes long.
 Data: < h6;B           > 00 68 36 3B 42 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001423B364F80, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x000001423B365D10, 16 bytes long.
 Data: < &#232;5;B           > 08 E8 35 3B 42 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001423B35FC80, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x000001423B366490, 16 bytes long.
 Data: <&#224;&#231;5;B           > E0 E7 35 3B 42 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001423B3662B0, 16 bytes long.
 Data: <&#184;&#231;5;B           > B8 E7 35 3B 42 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001423B365680, 16 bytes long.
 Data: < &#231;5;B           > 90 E7 35 3B 42 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001423B365B30, 16 bytes long.
 Data: <h&#231;5;B           > 68 E7 35 3B 42 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001423B365950, 16 bytes long.
 Data: <@&#231;5;B           > 40 E7 35 3B 42 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001423B365630, 16 bytes long.
 Data: < &#231;5;B           > 18 E7 35 3B 42 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001423B35FBC0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x000001423B365810, 16 bytes long.
 Data: <&#240;&#230;5;B           > F0 E6 35 3B 42 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001423B35E6F0, 320 bytes long.
 Data: < X6;B   &#192;&#251;5;B   > 10 58 36 3B 42 01 00 00 C0 FB 35 3B 42 01 00 00 
{278} normal block at 0x000001423B365BD0, 16 bytes long.
 Data: <&#224;g6;B           > E0 67 36 3B 42 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001423B365720, 16 bytes long.
 Data: <&#184;g6;B           > B8 67 36 3B 42 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001423B360460, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x000001423B3658B0, 16 bytes long.
 Data: < g6;B           > 90 67 36 3B 42 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001423B35FE00, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x000001423B366440, 16 bytes long.
 Data: <&#216;f6;B           > D8 66 36 3B 42 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001423B365F40, 16 bytes long.
 Data: <&#176;f6;B           > B0 66 36 3B 42 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001423B3656D0, 16 bytes long.
 Data: < f6;B           > 88 66 36 3B 42 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001423B3659A0, 16 bytes long.
 Data: <`f6;B           > 60 66 36 3B 42 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001423B3664E0, 16 bytes long.
 Data: <8f6;B           > 38 66 36 3B 42 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001423B3663F0, 16 bytes long.
 Data: < f6;B           > 10 66 36 3B 42 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001423B365900, 16 bytes long.
 Data: <&#208;I6;B           > D0 49 36 3B 42 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001423B3649D0, 40 bytes long.
 Data: < Y6;B   @_ =B   > 00 59 36 3B 42 01 00 00 40 5F 11 3D 42 01 00 00 
{264} normal block at 0x000001423B365E50, 16 bytes long.
 Data: <&#240;e6;B           > F0 65 36 3B 42 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001423B365AE0, 16 bytes long.
 Data: <&#200;e6;B           > C8 65 36 3B 42 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001423B35FC20, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x000001423B3655E0, 16 bytes long.
 Data: <&#160;e6;B           > A0 65 36 3B 42 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001423B3665A0, 992 bytes long.
 Data: <&#224;U6;B    &#252;5;B   > E0 55 36 3B 42 01 00 00 20 FC 35 3B 42 01 00 00 
{96} normal block at 0x000001423B35FEC0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x000001423B35F3F0, 16 bytes long.
 Data: <&#224;&#240;4;B           > E0 F0 34 3B 42 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000001423B34F0E0, 40 bytes long.
 Data: <&#240;&#243;5;B   &#192;&#254;5;B   > F0 F3 35 3B 42 01 00 00 C0 FE 35 3B 42 01 00 00 
{73} normal block at 0x000001423B35F1C0, 16 bytes long.
 Data: < &#234;&#217;*&#246;           > 80 EA D9 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001423B35F580, 16 bytes long.
 Data: <@&#233;&#217;*&#246;           > 40 E9 D9 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001423B35F030, 16 bytes long.
 Data: <&#248;W&#214;*&#246;           > F8 57 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001423B35ED60, 16 bytes long.
 Data: <&#216;W&#214;*&#246;           > D8 57 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001423B35F800, 16 bytes long.
 Data: <P &#214;*&#246;           > 50 04 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001423B35EE50, 16 bytes long.
 Data: <0 &#214;*&#246;           > 30 04 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001423B35F9E0, 16 bytes long.
 Data: <&#224; &#214;*&#246;           > E0 02 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001423B35EC70, 16 bytes long.
 Data: <  &#214;*&#246;           > 10 04 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001423B35F530, 16 bytes long.
 Data: <p &#214;*&#246;           > 70 04 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001423B35F080, 16 bytes long.
 Data: < &#192;&#212;*&#246;           > 18 C0 D4 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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