Task 38648482

Name test_285-GPUGRID_TEST_ATM_40STEP_20261023-0-40-RND8717_0
Workunit 31593183
Created 23 Oct 2026, 20:42:40 UTC
Sent 24 Oct 2026, 1:44:11 UTC
Report deadline 29 Oct 2026, 1:44:11 UTC
Received 24 Oct 2026, 2:55:11 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654379
Run time 40 min 39 sec
CPU time 38 min 48 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 33,165.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 607.43 MB
Peak swap size 13.00 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:14:42 (50436): wrapper (7.9.26016): starting
19:14:42 (50436): 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
19:14:43 (50436): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:14:43 (50436): 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\18\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\18\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
19:54:20 (50436): C:/Windows/system32/cmd.exe exited; CPU time 2328.859375
19:54:20 (50436): 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: 62912095 bytes.
Dumping objects ->
{3835262} normal block at 0x000001D7CC68C100, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835251} normal block at 0x000001D7CC68C640, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835240} normal block at 0x000001D7CC68C800, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835229} normal block at 0x000001D7CC68C790, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835218} normal block at 0x000001D7CC68C950, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835187} normal block at 0x000001D7CC68AE70, 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) : {3835174} normal block at 0x000001D7CC65F5F0, 8 bytes long.
 Data: <  &#191;&#204;&#215;   > 00 00 BF CC D7 01 00 00 
{3833969} normal block at 0x000001D7CC65F140, 8 bytes long.
 Data: <&#160;n:&#206;&#215;   > A0 6E 3A CE D7 01 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000001D7CC6633D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000001D7CC6587A0, 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 0x000001D7CC667800, 16 bytes long.
 Data: <&#200;&#130;f&#204;&#215;           > C8 82 66 CC D7 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001D7CC6679E0, 16 bytes long.
 Data: <&#160;&#130;f&#204;&#215;           > A0 82 66 CC D7 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001D7CC661AA0, 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 0x000001D7CC6673A0, 16 bytes long.
 Data: <x&#130;f&#204;&#215;           > 78 82 66 CC D7 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001D7CC6677B0, 16 bytes long.
 Data: <P&#130;f&#204;&#215;           > 50 82 66 CC D7 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001D7CC6678A0, 16 bytes long.
 Data: <(&#130;f&#204;&#215;           > 28 82 66 CC D7 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001D7CC667530, 16 bytes long.
 Data: < &#130;f&#204;&#215;           > 00 82 66 CC D7 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001D7CC665DB0, 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 0x000001D7CC667A80, 16 bytes long.
 Data: <  e&#204;&#215;           > 08 05 65 CC D7 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001D7CC661860, 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 0x000001D7CC667C10, 16 bytes long.
 Data: <&#224; e&#204;&#215;           > E0 04 65 CC D7 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001D7CC667260, 16 bytes long.
 Data: <&#184; e&#204;&#215;           > B8 04 65 CC D7 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001D7CC6678F0, 16 bytes long.
 Data: <  e&#204;&#215;           > 90 04 65 CC D7 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001D7CC667580, 16 bytes long.
 Data: <h e&#204;&#215;           > 68 04 65 CC D7 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001D7CC667210, 16 bytes long.
 Data: <@ e&#204;&#215;           > 40 04 65 CC D7 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001D7CC667440, 16 bytes long.
 Data: <  e&#204;&#215;           > 18 04 65 CC D7 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001D7CC661440, 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 0x000001D7CC667DF0, 16 bytes long.
 Data: <&#240; e&#204;&#215;           > F0 03 65 CC D7 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001D7CC6503F0, 320 bytes long.
 Data: <&#240;}f&#204;&#215;   @ f&#204;&#215;   > F0 7D 66 CC D7 01 00 00 40 14 66 CC D7 01 00 00 
{280} normal block at 0x000001D7CC667080, 16 bytes long.
 Data: <&#224; f&#204;&#215;           > E0 81 66 CC D7 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001D7CC667BC0, 16 bytes long.
 Data: <&#184; f&#204;&#215;           > B8 81 66 CC D7 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001D7CC660D80, 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 0x000001D7CC6674E0, 16 bytes long.
 Data: <  f&#204;&#215;           > 90 81 66 CC D7 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001D7CC6619E0, 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 0x000001D7CC6671C0, 16 bytes long.
 Data: <&#216; f&#204;&#215;           > D8 80 66 CC D7 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001D7CC667D50, 16 bytes long.
 Data: <&#176; f&#204;&#215;           > B0 80 66 CC D7 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001D7CC667670, 16 bytes long.
 Data: <  f&#204;&#215;           > 88 80 66 CC D7 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001D7CC6676C0, 16 bytes long.
 Data: <` f&#204;&#215;           > 60 80 66 CC D7 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001D7CC667170, 16 bytes long.
 Data: <8 f&#204;&#215;           > 38 80 66 CC D7 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001D7CC667760, 16 bytes long.
 Data: <  f&#204;&#215;           > 10 80 66 CC D7 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001D7CC667120, 16 bytes long.
 Data: <&#224;Xf&#204;&#215;           > E0 58 66 CC D7 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001D7CC6658E0, 40 bytes long.
 Data: < qf&#204;&#215;   p&#174;h&#204;&#215;   > 20 71 66 CC D7 01 00 00 70 AE 68 CC D7 01 00 00 
{266} normal block at 0x000001D7CC667710, 16 bytes long.
 Data: <&#240; f&#204;&#215;           > F0 7F 66 CC D7 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001D7CC667850, 16 bytes long.
 Data: <&#200; f&#204;&#215;           > C8 7F 66 CC D7 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001D7CC6610E0, 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 0x000001D7CC667D00, 16 bytes long.
 Data: <&#160; f&#204;&#215;           > A0 7F 66 CC D7 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001D7CC667FA0, 992 bytes long.
 Data: < }f&#204;&#215;   &#224; f&#204;&#215;   > 00 7D 66 CC D7 01 00 00 E0 10 66 CC D7 01 00 00 
{98} normal block at 0x000001D7CC660CC0, 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 0x000001D7CC65FAF0, 16 bytes long.
 Data: <0Zf&#204;&#215;           > 30 5A 66 CC D7 01 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x000001D7CC665A30, 40 bytes long.
 Data: <&#240;&#250;e&#204;&#215;   &#192; f&#204;&#215;   > F0 FA 65 CC D7 01 00 00 C0 0C 66 CC D7 01 00 00 
{75} normal block at 0x000001D7CC65F780, 16 bytes long.
 Data: < &#234;&#228;&#217;&#246;           > 80 EA E4 D9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001D7CC65F000, 16 bytes long.
 Data: <@&#233;&#228;&#217;&#246;           > 40 E9 E4 D9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001D7CC65EFB0, 16 bytes long.
 Data: <&#248;W&#225;&#217;&#246;           > F8 57 E1 D9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001D7CC65EF60, 16 bytes long.
 Data: <&#216;W&#225;&#217;&#246;           > D8 57 E1 D9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001D7CC65F460, 16 bytes long.
 Data: <P &#225;&#217;&#246;           > 50 04 E1 D9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001D7CC65FE10, 16 bytes long.
 Data: <0 &#225;&#217;&#246;           > 30 04 E1 D9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001D7CC65F3C0, 16 bytes long.
 Data: <&#224; &#225;&#217;&#246;           > E0 02 E1 D9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001D7CC65F500, 16 bytes long.
 Data: <  &#225;&#217;&#246;           > 10 04 E1 D9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001D7CC65FA50, 16 bytes long.
 Data: <p &#225;&#217;&#246;           > 70 04 E1 D9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001D7CC65F320, 16 bytes long.
 Data: < &#192;&#223;&#217;&#246;           > 18 C0 DF D9 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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