Task 38686691

Name test_173-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND5816_0
Workunit 31628113
Created 28 Oct 2026, 3:54:19 UTC
Sent 28 Oct 2026, 3:54:24 UTC
Report deadline 2 Nov 2026, 3:54:24 UTC
Received 28 Oct 2026, 5:48:49 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654728
Run time 1 hours 9 min 10 sec
CPU time 1 hours 5 min 9 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,255.46 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 639.86 MB
Peak swap size 3.70 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:40:11 (3004): wrapper (7.9.26016): starting
23:40:11 (3004): 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
23:40:13 (3004): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:40:13 (3004): 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\0\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\0\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
00:48:11 (3004): C:/Windows/system32/cmd.exe exited; CPU time 3909.234375
00:48:11 (3004): 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: 53440701 bytes.
Dumping objects ->
{3835276} normal block at 0x0000029A7ACE5540, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835265} normal block at 0x0000029A7ACE53F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835254} normal block at 0x0000029A7ACE5930, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835243} normal block at 0x0000029A7ACE5700, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835232} normal block at 0x0000029A7ACE57E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835201} normal block at 0x0000029A7C8661B0, 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) : {3835188} normal block at 0x0000029A7ACE01D0, 8 bytes long.
 Data: <   {&#154;   > 00 00 01 7B 9A 02 00 00 
{3833957} normal block at 0x0000029A7ACE0BD0, 8 bytes long.
 Data: < Y |&#154;   > 80 59 8F 7C 9A 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000029A7ACE1B90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000029A7ACCF310, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x0000029A7ACE6A80, 16 bytes long.
 Data: <&#184;a&#206;z&#154;           > B8 61 CE 7A 9A 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000029A7ACE6EE0, 16 bytes long.
 Data: < a&#206;z&#154;           > 90 61 CE 7A 9A 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000029A7ACDF630, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x0000029A7ACE6F80, 16 bytes long.
 Data: <ha&#206;z&#154;           > 68 61 CE 7A 9A 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000029A7ACE65D0, 16 bytes long.
 Data: <@a&#206;z&#154;           > 40 61 CE 7A 9A 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000029A7ACE7070, 16 bytes long.
 Data: < a&#206;z&#154;           > 18 61 CE 7A 9A 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000029A7ACE6B20, 16 bytes long.
 Data: <&#240;`&#206;z&#154;           > F0 60 CE 7A 9A 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000029A7ACE5A10, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x0000029A7ACE6940, 16 bytes long.
 Data: < &#181;&#204;z&#154;           > 18 B5 CC 7A 9A 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000029A7ACDFE70, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x0000029A7ACE6670, 16 bytes long.
 Data: <&#240;&#180;&#204;z&#154;           > F0 B4 CC 7A 9A 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000029A7ACE67B0, 16 bytes long.
 Data: <&#200;&#180;&#204;z&#154;           > C8 B4 CC 7A 9A 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000029A7ACE6AD0, 16 bytes long.
 Data: <&#160;&#180;&#204;z&#154;           > A0 B4 CC 7A 9A 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000029A7ACE6E40, 16 bytes long.
 Data: <x&#180;&#204;z&#154;           > 78 B4 CC 7A 9A 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000029A7ACE6E90, 16 bytes long.
 Data: <P&#180;&#204;z&#154;           > 50 B4 CC 7A 9A 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000029A7ACE7250, 16 bytes long.
 Data: <(&#180;&#204;z&#154;           > 28 B4 CC 7A 9A 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000029A7ACDFBD0, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{276} normal block at 0x0000029A7ACE7020, 16 bytes long.
 Data: < &#180;&#204;z&#154;           > 00 B4 CC 7A 9A 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000029A7ACCB400, 320 bytes long.
 Data: < p&#206;z&#154;   &#208;&#251;&#205;z&#154;   > 20 70 CE 7A 9A 02 00 00 D0 FB CD 7A 9A 02 00 00 
{274} normal block at 0x0000029A7ACE6760, 16 bytes long.
 Data: <&#208;`&#206;z&#154;           > D0 60 CE 7A 9A 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000029A7ACE6580, 16 bytes long.
 Data: <&#168;`&#206;z&#154;           > A8 60 CE 7A 9A 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000029A7ACDFE10, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x0000029A7ACE7200, 16 bytes long.
 Data: < `&#206;z&#154;           > 80 60 CE 7A 9A 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000029A7ACDF2D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x0000029A7ACE6FD0, 16 bytes long.
 Data: <&#200;_&#206;z&#154;           > C8 5F CE 7A 9A 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000029A7ACE70C0, 16 bytes long.
 Data: <&#160;_&#206;z&#154;           > A0 5F CE 7A 9A 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000029A7ACE6C10, 16 bytes long.
 Data: <x_&#206;z&#154;           > 78 5F CE 7A 9A 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000029A7ACE6C60, 16 bytes long.
 Data: <P_&#206;z&#154;           > 50 5F CE 7A 9A 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000029A7ACE0B80, 16 bytes long.
 Data: <(_&#206;z&#154;           > 28 5F CE 7A 9A 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000029A7ACE0B30, 16 bytes long.
 Data: < _&#206;z&#154;           > 00 5F CE 7A 9A 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000029A7ACE05E0, 16 bytes long.
 Data: <`T&#206;z&#154;           > 60 54 CE 7A 9A 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000029A7ACE5460, 40 bytes long.
 Data: <&#224; &#206;z&#154;   &#176;a&#134;|&#154;   > E0 05 CE 7A 9A 02 00 00 B0 61 86 7C 9A 02 00 00 
{260} normal block at 0x0000029A7ACE0A40, 16 bytes long.
 Data: <&#224;^&#206;z&#154;           > E0 5E CE 7A 9A 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000029A7ACE0950, 16 bytes long.
 Data: <&#184;^&#206;z&#154;           > B8 5E CE 7A 9A 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000029A7ACDF450, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x0000029A7ACE0900, 16 bytes long.
 Data: < ^&#206;z&#154;           > 90 5E CE 7A 9A 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000029A7ACE5E90, 992 bytes long.
 Data: < 	&#206;z&#154;   P&#244;&#205;z&#154;   > 00 09 CE 7A 9A 02 00 00 50 F4 CD 7A 9A 02 00 00 
{92} normal block at 0x0000029A7ACDF9F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x0000029A7ACE0090, 16 bytes long.
 Data: <&#208;&#253;&#204;z&#154;           > D0 FD CC 7A 9A 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000029A7ACCFDD0, 40 bytes long.
 Data: <  &#206;z&#154;   &#240;&#249;&#205;z&#154;   > 90 00 CE 7A 9A 02 00 00 F0 F9 CD 7A 9A 02 00 00 
{69} normal block at 0x0000029A7ACE0A90, 16 bytes long.
 Data: < &#234; z&#246;           > 80 EA 19 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000029A7ACE0540, 16 bytes long.
 Data: <@&#233; z&#246;           > 40 E9 19 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000029A7ACE0630, 16 bytes long.
 Data: <&#248;W z&#246;           > F8 57 16 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000029A7ACE0810, 16 bytes long.
 Data: <&#216;W z&#246;           > D8 57 16 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000029A7ACE0E00, 16 bytes long.
 Data: <P  z&#246;           > 50 04 16 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000029A7ACE0D10, 16 bytes long.
 Data: <0  z&#246;           > 30 04 16 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000029A7ACE0450, 16 bytes long.
 Data: <&#224;  z&#246;           > E0 02 16 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000029A7ACE0D60, 16 bytes long.
 Data: <   z&#246;           > 10 04 16 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000029A7ACE07C0, 16 bytes long.
 Data: <p  z&#246;           > 70 04 16 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000029A7ACE0AE0, 16 bytes long.
 Data: < &#192; z&#246;           > 18 C0 14 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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