Task 38684069

Name test_727-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND1308_0
Workunit 31625595
Created 27 Oct 2026, 14:35:52 UTC
Sent 27 Oct 2026, 14:35:57 UTC
Report deadline 1 Nov 2026, 14:35:57 UTC
Received 27 Oct 2026, 15:43:16 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 550955
Run time 50 min 42 sec
CPU time 47 min 10 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 23,243.30 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 722.28 MB
Peak swap size 9.90 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:52:45 (4540): wrapper (7.9.26016): starting
15:52:45 (4540): 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
15:52:46 (4540): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:52:46 (4540): 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\2\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\2\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
16:42:31 (4540): C:/Windows/system32/cmd.exe exited; CPU time 2830.390625
16:42:31 (4540): 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: 37821479 bytes.
Dumping objects ->
{3835234} normal block at 0x000001D601D27140, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x000001D601D274C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x000001D601D278B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835201} normal block at 0x000001D601D27AE0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835190} normal block at 0x000001D67FDE73D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835159} normal block at 0x000001D601CC8C90, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835148} normal block at 0x000001D601CE0EB0, 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) : {3835145} normal block at 0x000001D67FDE2130, 8 bytes long.
 Data: <  . &#214;   > 00 00 2E 00 D6 01 00 00 
{3834542} normal block at 0x000001D601CE1590, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x000001D67FDE1820, 8 bytes long.
 Data: <&#192;&#233;&#235; &#214;   > C0 E9 EB 7F D6 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001D67FDE37E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001D67FDD9840, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000001D67FDE8B80, 16 bytes long.
 Data: <  &#222; &#214;           > 08 90 DE 7F D6 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001D67FDE8220, 16 bytes long.
 Data: <&#224; &#222; &#214;           > E0 8F DE 7F D6 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001D67FDE3030, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000001D67FDE8860, 16 bytes long.
 Data: <&#184; &#222; &#214;           > B8 8F DE 7F D6 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001D67FDE8770, 16 bytes long.
 Data: <  &#222; &#214;           > 90 8F DE 7F D6 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001D67FDE8B30, 16 bytes long.
 Data: <h &#222; &#214;           > 68 8F DE 7F D6 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001D67FDE8BD0, 16 bytes long.
 Data: <@ &#222; &#214;           > 40 8F DE 7F D6 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001D67FDE7750, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000001D67FDE8AE0, 16 bytes long.
 Data: <x &#221; &#214;           > 78 11 DD 7F D6 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001D67FDE2C10, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000001D67FDE8360, 16 bytes long.
 Data: <P &#221; &#214;           > 50 11 DD 7F D6 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001D67FDE8680, 16 bytes long.
 Data: <( &#221; &#214;           > 28 11 DD 7F D6 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001D67FDE8400, 16 bytes long.
 Data: <  &#221; &#214;           > 00 11 DD 7F D6 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001D67FDE8900, 16 bytes long.
 Data: <&#216; &#221; &#214;           > D8 10 DD 7F D6 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001D67FDE8A90, 16 bytes long.
 Data: <&#176; &#221; &#214;           > B0 10 DD 7F D6 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001D67FDE8040, 16 bytes long.
 Data: <  &#221; &#214;           > 88 10 DD 7F D6 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001D67FDE32D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000001D67FDE8630, 16 bytes long.
 Data: <` &#221; &#214;           > 60 10 DD 7F D6 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001D67FDD1060, 320 bytes long.
 Data: <0&#134;&#222; &#214;   &#208;2&#222; &#214;   > 30 86 DE 7F D6 01 00 00 D0 32 DE 7F D6 01 00 00 
{276} normal block at 0x000001D67FDE8720, 16 bytes long.
 Data: <  &#222; &#214;           > 20 8F DE 7F D6 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001D67FDE8590, 16 bytes long.
 Data: <&#248;&#142;&#222; &#214;           > F8 8E DE 7F D6 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001D67FDE2CD0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000001D67FDE8810, 16 bytes long.
 Data: <&#208;&#142;&#222; &#214;           > D0 8E DE 7F D6 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001D67FDE23D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000001D67FDE8540, 16 bytes long.
 Data: < &#142;&#222; &#214;           > 18 8E DE 7F D6 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001D67FDE8A40, 16 bytes long.
 Data: <&#240; &#222; &#214;           > F0 8D DE 7F D6 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001D67FDE83B0, 16 bytes long.
 Data: <&#200; &#222; &#214;           > C8 8D DE 7F D6 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001D67FDE81D0, 16 bytes long.
 Data: <&#160; &#222; &#214;           > A0 8D DE 7F D6 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001D67FDE8270, 16 bytes long.
 Data: <x &#222; &#214;           > 78 8D DE 7F D6 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001D67FDE7F00, 16 bytes long.
 Data: <P &#222; &#214;           > 50 8D DE 7F D6 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001D67FDE7D70, 16 bytes long.
 Data: <&#176;t&#222; &#214;           > B0 74 DE 7F D6 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001D67FDE74B0, 40 bytes long.
 Data: <p}&#222; &#214;    &#140;&#204; &#214;   > 70 7D DE 7F D6 01 00 00 90 8C CC 01 D6 01 00 00 
{262} normal block at 0x000001D67FDE7FF0, 16 bytes long.
 Data: <0 &#222; &#214;           > 30 8D DE 7F D6 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001D67FDE7DC0, 16 bytes long.
 Data: <  &#222; &#214;           > 08 8D DE 7F D6 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001D67FDE2670, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000001D67FDE85E0, 16 bytes long.
 Data: <&#224;&#140;&#222; &#214;           > E0 8C DE 7F D6 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001D67FDE8CE0, 992 bytes long.
 Data: <&#224;&#133;&#222; &#214;   p&&#222; &#214;   > E0 85 DE 7F D6 01 00 00 70 26 DE 7F D6 01 00 00 
{94} normal block at 0x000001D67FDE2C70, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000001D67FDE1550, 16 bytes long.
 Data: <&#240;y&#222; &#214;           > F0 79 DE 7F D6 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001D67FDE79F0, 40 bytes long.
 Data: <P &#222; &#214;   p,&#222; &#214;   > 50 15 DE 7F D6 01 00 00 70 2C DE 7F D6 01 00 00 
{71} normal block at 0x000001D67FDE1730, 16 bytes long.
 Data: < &#234;9T&#246;           > 80 EA 39 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001D67FDE1500, 16 bytes long.
 Data: <@&#233;9T&#246;           > 40 E9 39 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001D67FDE2310, 16 bytes long.
 Data: <&#248;W6T&#246;           > F8 57 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001D67FDE2090, 16 bytes long.
 Data: <&#216;W6T&#246;           > D8 57 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001D67FDE13C0, 16 bytes long.
 Data: <P 6T&#246;           > 50 04 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001D67FDE17D0, 16 bytes long.
 Data: <0 6T&#246;           > 30 04 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001D67FDE1BE0, 16 bytes long.
 Data: <&#224; 6T&#246;           > E0 02 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001D67FDE1EB0, 16 bytes long.
 Data: <  6T&#246;           > 10 04 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001D67FDE20E0, 16 bytes long.
 Data: <p 6T&#246;           > 70 04 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001D67FDE1690, 16 bytes long.
 Data: < &#192;4T&#246;           > 18 C0 34 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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