Task 38663292

Name	test_1765-GPUGRID_TEST_ATM_2STEP_20261024-1-2-RND0791_1
Workunit	31606465
Created	24 Oct 2026, 21:43:57 UTC
Sent	24 Oct 2026, 21:44:08 UTC
Report deadline	29 Oct 2026, 21:44:08 UTC
Received	24 Oct 2026, 22:25:32 UTC
Server state	Over
Outcome	Success
Client state	Done
Exit status	0 (0x00000000)
Computer ID	631520
Run time	36 min 23 sec
CPU time	34 min 8 sec
Validate state	Valid
Credit	60,000.00
Device peak FLOPS	6,608.41 GFLOPS
Application version	ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64
Peak working set size	696.82 MB
Peak swap size	5.25 GB
Peak disk usage	3.03 GB
Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:48:20 (4140): wrapper (7.9.26016): starting
06:48:20 (4140): 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
06:48:21 (4140): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:48:21 (4140): 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
07:23:22 (4140): C:/Windows/system32/cmd.exe exited; CPU time 2048.343750
07:23:22 (4140): 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: 39337117 bytes.
Dumping objects ->
{3835268} normal block at 0x000001F5E464C3B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835257} normal block at 0x000001F5E26E4BA0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835246} normal block at 0x000001F5E26E4B30, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835235} normal block at 0x000001F5E26E4AC0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835224} normal block at 0x000001F5E26E4A50, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835193} normal block at 0x000001F5E4697F70, 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) : {3835180} normal block at 0x000001F5E26E0960, 8 bytes long.
 Data: <  &#173;     > 00 00 AD E2 F5 01 00 00 
{3834037} normal block at 0x000001F5E26E0D20, 8 bytes long.
 Data: <&#176; Z     > B0 E3 5A E4 F5 01 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001F5E26D6760, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001F5E26D7380, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x000001F5E26E5DE0, 16 bytes long.
 Data: < dn             > E8 64 6E E2 F5 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001F5E26E6150, 16 bytes long.
 Data: <&#192;dn             > C0 64 6E E2 F5 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001F5E26DF340, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x000001F5E26E5610, 16 bytes long.
 Data: < dn             > 98 64 6E E2 F5 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001F5E26E5930, 16 bytes long.
 Data: <pdn             > 70 64 6E E2 F5 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001F5E26E5700, 16 bytes long.
 Data: <Hdn             > 48 64 6E E2 F5 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001F5E26E5A70, 16 bytes long.
 Data: < dn             > 20 64 6E E2 F5 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001F5E26E45F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x000001F5E26E56B0, 16 bytes long.
 Data: <  l             > 18 F0 6C E2 F5 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001F5E26E0000, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x000001F5E26E5200, 16 bytes long.
 Data: <  l             > F0 EF 6C E2 F5 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001F5E26E60B0, 16 bytes long.
 Data: <&#200; l             > C8 EF 6C E2 F5 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001F5E26E6010, 16 bytes long.
 Data: <  l             > A0 EF 6C E2 F5 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001F5E26E5AC0, 16 bytes long.
 Data: <x l             > 78 EF 6C E2 F5 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001F5E26E52A0, 16 bytes long.
 Data: <P l             > 50 EF 6C E2 F5 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001F5E26E5250, 16 bytes long.
 Data: <( l             > 28 EF 6C E2 F5 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001F5E26DF640, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x000001F5E26E59D0, 16 bytes long.
 Data: <  l             > 00 EF 6C E2 F5 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001F5E26CEF00, 320 bytes long.
 Data: <&#208;Yn     @ m     > D0 59 6E E2 F5 01 00 00 40 F6 6D E2 F5 01 00 00 
{271} normal block at 0x000001F5E26E5B60, 16 bytes long.
 Data: < dn             > 00 64 6E E2 F5 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001F5E26E5C50, 16 bytes long.
 Data: <&#216;cn             > D8 63 6E E2 F5 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001F5E26DF7C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x000001F5E26E58E0, 16 bytes long.
 Data: <&#176;cn             > B0 63 6E E2 F5 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001F5E26DFCA0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x000001F5E26E5890, 16 bytes long.
 Data: < bn             > F8 62 6E E2 F5 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001F5E26E5CF0, 16 bytes long.
 Data: <&#208;bn             > D0 62 6E E2 F5 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001F5E26E6060, 16 bytes long.
 Data: <&#168;bn             > A8 62 6E E2 F5 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001F5E26E6100, 16 bytes long.
 Data: < bn             > 80 62 6E E2 F5 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001F5E26E54D0, 16 bytes long.
 Data: <Xbn             > 58 62 6E E2 F5 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001F5E26E5840, 16 bytes long.
 Data: <0bn             > 30 62 6E E2 F5 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001F5E26E5980, 16 bytes long.
 Data: < Ln             > F0 4C 6E E2 F5 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001F5E26E4CF0, 40 bytes long.
 Data: < Yn     p i     > 80 59 6E E2 F5 01 00 00 70 7F 69 E4 F5 01 00 00 
{257} normal block at 0x000001F5E26E55C0, 16 bytes long.
 Data: < bn             > 10 62 6E E2 F5 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001F5E26E5F70, 16 bytes long.
 Data: < an             > E8 61 6E E2 F5 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001F5E26DF2E0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x000001F5E26E5BB0, 16 bytes long.
 Data: <&#192;an             > C0 61 6E E2 F5 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001F5E26E61C0, 992 bytes long.
 Data: <&#176;[n       m     > B0 5B 6E E2 F5 01 00 00 E0 F2 6D E2 F5 01 00 00 
{89} normal block at 0x000001F5E26DF280, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x000001F5E26E0BE0, 16 bytes long.
 Data: <&#208;&#212;l             > D0 D4 6C E2 F5 01 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000001F5E26CD4D0, 40 bytes long.
 Data: <  n       m     > E0 0B 6E E2 F5 01 00 00 80 F2 6D E2 F5 01 00 00 
{64} normal block at 0x000001F5E26E0FA0, 16 bytes long.
 Data: <   _            > 80 EA FA 5F F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001F5E26E0B40, 16 bytes long.
 Data: <@  _            > 40 E9 FA 5F F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001F5E26E1040, 16 bytes long.
 Data: < W _            > F8 57 F7 5F F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001F5E26E0E60, 16 bytes long.
 Data: <&#216;W _            > D8 57 F7 5F F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001F5E26E0E10, 16 bytes long.
 Data: <P  _            > 50 04 F7 5F F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001F5E26E0EB0, 16 bytes long.
 Data: <0  _            > 30 04 F7 5F F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001F5E26E0640, 16 bytes long.
 Data: <   _            > E0 02 F7 5F F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001F5E26E09B0, 16 bytes long.
 Data: <   _            > 10 04 F7 5F F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001F5E26E0500, 16 bytes long.
 Data: <p  _            > 70 04 F7 5F F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001F5E26E0730, 16 bytes long.
 Data: < &#192; _            > 18 C0 F5 5F F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>