Task 38661350

Name test_219-GPUGRID_TEST_ATM_2STEP_20261024-1-2-RND2998_0
Workunit 31604773
Created 24 Oct 2026, 15:37:40 UTC
Sent 24 Oct 2026, 15:46:16 UTC
Report deadline 29 Oct 2026, 15:46:16 UTC
Received 24 Oct 2026, 16:42:31 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 618954
Run time 49 min 59 sec
CPU time 49 min 59 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,741.16 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 715.75 MB
Peak swap size 18.91 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.5</core_client_version>
<![CDATA[
<stderr_txt>
17:52:07 (14100): wrapper (7.9.26016): starting
17:52:07 (14100): 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
17:52:10 (14100): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:52:10 (14100): 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\183\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\183\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
18:37:41 (14100): C:/Windows/system32/cmd.exe exited; CPU time 2999.031250
18:37:41 (14100): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 74854067 bytes.
Dumping objects ->
{3835226} normal block at 0x0000016A98629220, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835215} normal block at 0x0000016A9862A020, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835204} normal block at 0x0000016A98629D10, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835193} normal block at 0x0000016A98629C30, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835182} normal block at 0x0000016A98629CA0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835151} normal block at 0x0000016A9A1DDD50, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835140} normal block at 0x0000016A9A587160, 140 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) : {3835137} normal block at 0x0000016A986037B0, 8 bytes long.
 Data: <  [ j   > 00 00 5B 98 6A 01 00 00 
{3834534} normal block at 0x0000016A9A587E60, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833949} normal block at 0x0000016A98603E90, 8 bytes long.
 Data: <P&#208;m j   > 50 D0 6D 98 6A 01 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x0000016A985ED5B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000016A985E48B0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x0000016A98603350, 16 bytes long.
 Data: <xo` j           > 78 6F 60 98 6A 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000016A98603440, 16 bytes long.
 Data: <Po` j           > 50 6F 60 98 6A 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000016A985F8F10, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x0000016A98603C10, 16 bytes long.
 Data: <(o` j           > 28 6F 60 98 6A 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000016A98603300, 16 bytes long.
 Data: < o` j           > 00 6F 60 98 6A 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000016A986040C0, 16 bytes long.
 Data: <&#216;n` j           > D8 6E 60 98 6A 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000016A98603580, 16 bytes long.
 Data: <&#176;n` j           > B0 6E 60 98 6A 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000016A98601760, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x0000016A98604020, 16 bytes long.
 Data: <HH^ j           > 48 48 5E 98 6A 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000016A985F8E50, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x0000016A986039E0, 16 bytes long.
 Data: < H^ j           > 20 48 5E 98 6A 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000016A98603530, 16 bytes long.
 Data: <&#248;G^ j           > F8 47 5E 98 6A 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000016A98603670, 16 bytes long.
 Data: <&#208;G^ j           > D0 47 5E 98 6A 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000016A98603B20, 16 bytes long.
 Data: <&#168;G^ j           > A8 47 5E 98 6A 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000016A98603F80, 16 bytes long.
 Data: < G^ j           > 80 47 5E 98 6A 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000016A986033A0, 16 bytes long.
 Data: <XG^ j           > 58 47 5E 98 6A 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000016A985F9CF0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x0000016A986035D0, 16 bytes long.
 Data: <0G^ j           > 30 47 5E 98 6A 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000016A985E4730, 320 bytes long.
 Data: <&#208;5` j   &#240;&#156;_ j   > D0 35 60 98 6A 01 00 00 F0 9C 5F 98 6A 01 00 00 
{270} normal block at 0x0000016A98603940, 16 bytes long.
 Data: < n` j           > 90 6E 60 98 6A 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000016A986038A0, 16 bytes long.
 Data: <hn` j           > 68 6E 60 98 6A 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000016A985F9390, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x0000016A98603FD0, 16 bytes long.
 Data: <@n` j           > 40 6E 60 98 6A 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000016A985F9C90, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x0000016A98603260, 16 bytes long.
 Data: < m` j           > 88 6D 60 98 6A 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000016A98603B70, 16 bytes long.
 Data: <`m` j           > 60 6D 60 98 6A 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000016A986041B0, 16 bytes long.
 Data: <8m` j           > 38 6D 60 98 6A 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000016A98603850, 16 bytes long.
 Data: < m` j           > 10 6D 60 98 6A 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000016A98604160, 16 bytes long.
 Data: <&#232;l` j           > E8 6C 60 98 6A 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000016A98603760, 16 bytes long.
 Data: <&#192;l` j           > C0 6C 60 98 6A 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000016A98604110, 16 bytes long.
 Data: <0 ` j           > 30 1C 60 98 6A 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000016A98601C30, 40 bytes long.
 Data: < A` j   P&#221; &#154;j   > 10 41 60 98 6A 01 00 00 50 DD 1D 9A 6A 01 00 00 
{256} normal block at 0x0000016A98603E40, 16 bytes long.
 Data: <&#160;l` j           > A0 6C 60 98 6A 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000016A986032B0, 16 bytes long.
 Data: <xl` j           > 78 6C 60 98 6A 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000016A985F9BD0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x0000016A98603620, 16 bytes long.
 Data: <Pl` j           > 50 6C 60 98 6A 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000016A98606C50, 992 bytes long.
 Data: < 6` j   &#208;&#155;_ j   > 20 36 60 98 6A 01 00 00 D0 9B 5F 98 6A 01 00 00 
{88} normal block at 0x0000016A985F92D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x0000016A986033F0, 16 bytes long.
 Data: <&#192; ` j           > C0 1B 60 98 6A 01 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x0000016A98601BC0, 40 bytes long.
 Data: <&#240;3` j   &#208;&#146;_ j   > F0 33 60 98 6A 01 00 00 D0 92 5F 98 6A 01 00 00 
{65} normal block at 0x0000016A985F83D0, 16 bytes long.
 Data: < &#234;SE&#246;           > 80 EA 53 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000016A985F8330, 16 bytes long.
 Data: <@&#233;SE&#246;           > 40 E9 53 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000016A985F7E30, 16 bytes long.
 Data: <&#248;WPE&#246;           > F8 57 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000016A985F8290, 16 bytes long.
 Data: <&#216;WPE&#246;           > D8 57 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000016A985F8BA0, 16 bytes long.
 Data: <P PE&#246;           > 50 04 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000016A985F8240, 16 bytes long.
 Data: <0 PE&#246;           > 30 04 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000016A985F7D40, 16 bytes long.
 Data: <&#224; PE&#246;           > E0 02 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000016A985F88D0, 16 bytes long.
 Data: <  PE&#246;           > 10 04 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000016A985F7D90, 16 bytes long.
 Data: <p PE&#246;           > 70 04 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000016A985F8C90, 16 bytes long.
 Data: < &#192;NE&#246;           > 18 C0 4E 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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