Task 38674852
| Name | test_549-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND1492_0 |
| Workunit | 31616860 |
| Created | 26 Oct 2026, 6:31:43 UTC |
| Sent | 26 Oct 2026, 6:31:49 UTC |
| Report deadline | 31 Oct 2026, 6:31:49 UTC |
| Received | 26 Oct 2026, 7:24:01 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654845 |
| Run time | 26 min 1 sec |
| CPU time | 19 min 54 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 32,075.31 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 722.07 MB |
| Peak swap size | 1.67 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:57:45 (10144): wrapper (7.9.26016): starting
08:57:45 (10144): 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
08:57:46 (10144): Library/usr/bin/tar.exe exited; CPU time 0.015625
08:57:46 (10144): 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 'D:\ProgramData\BOINC\slots\1\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 'D:\ProgramData\BOINC\slots\1\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
09:21:53 (10144): C:/Windows/system32/cmd.exe exited; CPU time 1194.859375
09:21:53 (10144): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 17785207 bytes.
Dumping objects ->
{3835468} normal block at 0x00000179E63DC5D0, 48 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835457} normal block at 0x00000179E63DCA30, 48 bytes long.
Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835446} normal block at 0x00000179E63DCBF0, 48 bytes long.
Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835435} normal block at 0x00000179E48DAED0, 48 bytes long.
Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835424} normal block at 0x00000179E48DAD80, 48 bytes long.
Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61
{3835393} normal block at 0x00000179E6423090, 64 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835382} normal block at 0x00000179E49ACEB0, 160 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) : {3835379} normal block at 0x00000179E48D6570, 8 bytes long.
Data: < äy > 00 00 81 E4 79 01 00 00
{3834658} normal block at 0x00000179E49ACA50, 160 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833947} normal block at 0x00000179E48D65C0, 8 bytes long.
Data: < Hæy > 10 07 48 E6 79 01 00 00
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x00000179E48DF9D0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000179E48C5B30, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{289} normal block at 0x00000179E48E10A0, 16 bytes long.
Data: <Ø.Žäy > D8 2E 8E E4 79 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000179E48E0BF0, 16 bytes long.
Data: <°.Žäy > B0 2E 8E E4 79 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000179E48DC0C0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{286} normal block at 0x00000179E48E11E0, 16 bytes long.
Data: < .Žäy > 88 2E 8E E4 79 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000179E48E0A10, 16 bytes long.
Data: <`.Žäy > 60 2E 8E E4 79 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000179E48E1140, 16 bytes long.
Data: <8.Žäy > 38 2E 8E E4 79 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000179E48E09C0, 16 bytes long.
Data: < .Žäy > 10 2E 8E E4 79 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000179E48DB020, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{281} normal block at 0x00000179E48E0AB0, 16 bytes long.
Data: <ÈZŒäy > C8 5A 8C E4 79 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000179E48DC780, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{279} normal block at 0x00000179E48E0EC0, 16 bytes long.
Data: < ZŒäy > A0 5A 8C E4 79 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000179E48E0970, 16 bytes long.
Data: <xZΊy > 78 5A 8C E4 79 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000179E48E1730, 16 bytes long.
Data: <PZΊy > 50 5A 8C E4 79 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000179E48E16E0, 16 bytes long.
Data: <(ZΊy > 28 5A 8C E4 79 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000179E48E0DD0, 16 bytes long.
Data: < ZΊy > 00 5A 8C E4 79 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000179E48E0880, 16 bytes long.
Data: <ØYŒäy > D8 59 8C E4 79 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000179E48DC720, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{271} normal block at 0x00000179E48E1410, 16 bytes long.
Data: <°YŒäy > B0 59 8C E4 79 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000179E48C59B0, 320 bytes long.
Data: < Žäy Ç äy > 10 14 8E E4 79 01 00 00 20 C7 8D E4 79 01 00 00
{269} normal block at 0x00000179E48E1690, 16 bytes long.
Data: <ð-Žäy > F0 2D 8E E4 79 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000179E48E0830, 16 bytes long.
Data: <È-Žäy > C8 2D 8E E4 79 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000179E48DC2A0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{266} normal block at 0x00000179E48E1000, 16 bytes long.
Data: < -Žäy > A0 2D 8E E4 79 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000179E48DC5A0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{264} normal block at 0x00000179E48E0B00, 16 bytes long.
Data: <è,Žäy > E8 2C 8E E4 79 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000179E48E0E20, 16 bytes long.
Data: <À,Žäy > C0 2C 8E E4 79 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000179E48E0920, 16 bytes long.
Data: < ,Žäy > 98 2C 8E E4 79 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000179E48E15F0, 16 bytes long.
Data: <p,Žäy > 70 2C 8E E4 79 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000179E48E1500, 16 bytes long.
Data: <H,Žäy > 48 2C 8E E4 79 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000179E48E14B0, 16 bytes long.
Data: < ,Žäy > 20 2C 8E E4 79 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000179E48E0A60, 16 bytes long.
Data: <ઠäy > E0 AA 8D E4 79 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000179E48DAAE0, 40 bytes long.
Data: <` Žäy 0Bæy > 60 0A 8E E4 79 01 00 00 90 30 42 E6 79 01 00 00
{255} normal block at 0x00000179E48E1230, 16 bytes long.
Data: < ,Žäy > 00 2C 8E E4 79 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x00000179E48E07E0, 16 bytes long.
Data: <Ø+Žäy > D8 2B 8E E4 79 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x00000179E48DC480, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{252} normal block at 0x00000179E48E1370, 16 bytes long.
Data: <°+Žäy > B0 2B 8E E4 79 01 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x00000179E48E2BB0, 992 bytes long.
Data: <p Žäy Ä äy > 70 13 8E E4 79 01 00 00 80 C4 8D E4 79 01 00 00
{87} normal block at 0x00000179E48DC660, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{86} normal block at 0x00000179E48D6980, 16 bytes long.
Data: <À« äy > C0 AB 8D E4 79 01 00 00 00 00 00 00 00 00 00 00
{85} normal block at 0x00000179E48DABC0, 40 bytes long.
Data: < i äy `Æ äy > 80 69 8D E4 79 01 00 00 60 C6 8D E4 79 01 00 00
{64} normal block at 0x00000179E48D5FD0, 16 bytes long.
Data: < ê3®÷ > 80 EA 33 AE F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000179E48D5E40, 16 bytes long.
Data: <@é3®÷ > 40 E9 33 AE F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000179E48D62F0, 16 bytes long.
Data: <øW0®÷ > F8 57 30 AE F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000179E48D6250, 16 bytes long.
Data: <ØW0®÷ > D8 57 30 AE F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000179E48D6890, 16 bytes long.
Data: <P 0®÷ > 50 04 30 AE F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000179E48D5D50, 16 bytes long.
Data: <0 0®÷ > 30 04 30 AE F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x00000179E48D6CA0, 16 bytes long.
Data: <à 0®÷ > E0 02 30 AE F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x00000179E48D6070, 16 bytes long.
Data: < 0®÷ > 10 04 30 AE F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x00000179E48D6520, 16 bytes long.
Data: <p 0®÷ > 70 04 30 AE F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x00000179E48D6930, 16 bytes long.
Data: < À.®÷ > 18 C0 2E AE F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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