Task 38679114

Name test_871-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND6506_0
Workunit 31620905
Created 26 Oct 2026, 19:31:11 UTC
Sent 26 Oct 2026, 19:31:19 UTC
Report deadline 31 Oct 2026, 19:31:19 UTC
Received 26 Oct 2026, 20:47:29 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 634205
Run time 1 hours 1 min 52 sec
CPU time 1 hours 0 min 36 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 7,990.82 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 765.80 MB
Peak swap size 12.94 GB
Peak disk usage 4.08 GB

Stderr output

<core_client_version>8.0.4</core_client_version>
<![CDATA[
<stderr_txt>
06:46:39 (39544): wrapper (7.9.26016): starting
06:46:39 (39544): 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
06:46:40 (39544): Library/usr/bin/tar.exe exited; CPU time 0.015625
06:46:40 (39544): 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\15\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\15\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
07:46:54 (39544): C:/Windows/system32/cmd.exe exited; CPU time 3636.406250
07:46:54 (39544): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 78677531 bytes.
Dumping objects ->
{3835521} normal block at 0x000002F399F19CC0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835510} normal block at 0x000002F399F19DA0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835499} normal block at 0x000002F399F1A430, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835488} normal block at 0x000002F399F19860, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835477} normal block at 0x000002F399F19630, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835446} normal block at 0x000002F39BB24A80, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835433} normal block at 0x000002F399EF1970, 8 bytes long.
 Data: <  &#231; &#243;   > 00 00 E7 99 F3 02 00 00 
{3833971} normal block at 0x000002F399EF18D0, 8 bytes long.
 Data: <&#176;7&#187;&#155;&#243;   > B0 37 BB 9B F3 02 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000002F399EE7A90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000002F399EDFB90, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x000002F399EF6360, 16 bytes long.
 Data: <ht&#239; &#243;           > 68 74 EF 99 F3 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000002F399EF6400, 16 bytes long.
 Data: <@t&#239; &#243;           > 40 74 EF 99 F3 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002F399EF08D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x000002F399EF68B0, 16 bytes long.
 Data: < t&#239; &#243;           > 18 74 EF 99 F3 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002F399EF6590, 16 bytes long.
 Data: <&#240;s&#239; &#243;           > F0 73 EF 99 F3 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002F399EF6180, 16 bytes long.
 Data: <&#200;s&#239; &#243;           > C8 73 EF 99 F3 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002F399EF70D0, 16 bytes long.
 Data: <&#160;s&#239; &#243;           > A0 73 EF 99 F3 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002F399EEF6D0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x000002F399EF69F0, 16 bytes long.
 Data: <x &#238; &#243;           > 78 0D EE 99 F3 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002F399EF1530, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x000002F399EF7030, 16 bytes long.
 Data: <P &#238; &#243;           > 50 0D EE 99 F3 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002F399EF6860, 16 bytes long.
 Data: <( &#238; &#243;           > 28 0D EE 99 F3 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002F399EF6810, 16 bytes long.
 Data: <  &#238; &#243;           > 00 0D EE 99 F3 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002F399EF69A0, 16 bytes long.
 Data: <&#216; &#238; &#243;           > D8 0C EE 99 F3 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002F399EF6A40, 16 bytes long.
 Data: <&#176; &#238; &#243;           > B0 0C EE 99 F3 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002F399EF6B30, 16 bytes long.
 Data: <  &#238; &#243;           > 88 0C EE 99 F3 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002F399EF0990, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x000002F399EF6AE0, 16 bytes long.
 Data: <` &#238; &#243;           > 60 0C EE 99 F3 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002F399EE0C60, 320 bytes long.
 Data: <&#224;j&#239; &#243;    	&#239; &#243;   > E0 6A EF 99 F3 02 00 00 90 09 EF 99 F3 02 00 00 
{281} normal block at 0x000002F399EF67C0, 16 bytes long.
 Data: < s&#239; &#243;           > 80 73 EF 99 F3 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002F399EF6770, 16 bytes long.
 Data: <Xs&#239; &#243;           > 58 73 EF 99 F3 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002F399EF0ED0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x000002F399EF6DB0, 16 bytes long.
 Data: <0s&#239; &#243;           > 30 73 EF 99 F3 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002F399EF0B70, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x000002F399EF6310, 16 bytes long.
 Data: <xr&#239; &#243;           > 78 72 EF 99 F3 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002F399EF6720, 16 bytes long.
 Data: <Pr&#239; &#243;           > 50 72 EF 99 F3 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002F399EF63B0, 16 bytes long.
 Data: <(r&#239; &#243;           > 28 72 EF 99 F3 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002F399EF6950, 16 bytes long.
 Data: < r&#239; &#243;           > 00 72 EF 99 F3 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002F399EF6BD0, 16 bytes long.
 Data: <&#216;q&#239; &#243;           > D8 71 EF 99 F3 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002F399EF66D0, 16 bytes long.
 Data: <&#176;q&#239; &#243;           > B0 71 EF 99 F3 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002F399EF6FE0, 16 bytes long.
 Data: <0&#244;&#238; &#243;           > 30 F4 EE 99 F3 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002F399EEF430, 40 bytes long.
 Data: <&#224;o&#239; &#243;    J&#178;&#155;&#243;   > E0 6F EF 99 F3 02 00 00 80 4A B2 9B F3 02 00 00 
{267} normal block at 0x000002F399EF6540, 16 bytes long.
 Data: < q&#239; &#243;           > 90 71 EF 99 F3 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002F399EF6680, 16 bytes long.
 Data: <hq&#239; &#243;           > 68 71 EF 99 F3 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002F399EF0E10, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x000002F399EF6A90, 16 bytes long.
 Data: <@q&#239; &#243;           > 40 71 EF 99 F3 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002F399EF7140, 992 bytes long.
 Data: < j&#239; &#243;     &#239; &#243;   > 90 6A EF 99 F3 02 00 00 10 0E EF 99 F3 02 00 00 
{99} normal block at 0x000002F399EF0690, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x000002F399EF2000, 16 bytes long.
 Data: < &#241;&#238; &#243;           > 20 F1 EE 99 F3 02 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x000002F399EEF120, 40 bytes long.
 Data: <  &#239; &#243;     &#239; &#243;   > 00 20 EF 99 F3 02 00 00 90 06 EF 99 F3 02 00 00 
{76} normal block at 0x000002F399EF1880, 16 bytes long.
 Data: < &#234;<x&#247;           > 80 EA 3C 78 F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000002F399EF2500, 16 bytes long.
 Data: <@&#233;<x&#247;           > 40 E9 3C 78 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000002F399EF1920, 16 bytes long.
 Data: <&#248;W9x&#247;           > F8 57 39 78 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002F399EF25F0, 16 bytes long.
 Data: <&#216;W9x&#247;           > D8 57 39 78 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002F399EF1830, 16 bytes long.
 Data: <P 9x&#247;           > 50 04 39 78 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002F399EF1E70, 16 bytes long.
 Data: <0 9x&#247;           > 30 04 39 78 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002F399EF17E0, 16 bytes long.
 Data: <&#224; 9x&#247;           > E0 02 39 78 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002F399EF2460, 16 bytes long.
 Data: <  9x&#247;           > 10 04 39 78 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002F399EF1FB0, 16 bytes long.
 Data: <p 9x&#247;           > 70 04 39 78 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002F399EF1790, 16 bytes long.
 Data: < &#192;7x&#247;           > 18 C0 37 78 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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