Task 38666752
| Name | test_806-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND2810_2 |
| Workunit | 31608894 |
| Created | 25 Oct 2026, 4:37:12 UTC |
| Sent | 25 Oct 2026, 5:06:05 UTC |
| Report deadline | 30 Oct 2026, 5:06:05 UTC |
| Received | 26 Oct 2026, 2:23:31 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 631047 |
| Run time | 20 hours 16 min 53 sec |
| CPU time | 15 hours 4 min 40 sec |
| Validate state | Valid |
| Credit | 600,000.00 |
| Device peak FLOPS | 14,933.54 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 759.28 MB |
| Peak swap size | 9.22 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:30:53 (7788): wrapper (7.9.26016): starting
14:30:53 (7788): 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
14:30:59 (7788): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:30:59 (7788): 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.
06:19:41 (20012): wrapper (7.9.26016): starting
06:19:41 (20012): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ƒTƒuƒfƒBƒŒƒNƒgƒŠ‚Ü‚½‚̓tƒ@ƒCƒ‹ C:\ProgramData\BOINC\slots\0\tmp ‚ÍŠù‚É‘¶Ý‚µ‚Ü‚·B
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
11:19:38 (20012): C:/Windows/system32/cmd.exe exited; CPU time 14172.359375
11:19:38 (20012): 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: 234491846 bytes.
Dumping objects ->
{1813} normal block at 0x0000012737DC4EA0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1802} normal block at 0x0000012737DC4A40, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1791} normal block at 0x0000012737DC4AB0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1780} normal block at 0x0000012737DC4D50, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1769} normal block at 0x0000012737DC4E30, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1738} normal block at 0x0000012737DB0310, 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) : {1725} normal block at 0x0000012737DC5E60, 8 bytes long.
Data: < 7' > 00 00 D5 37 27 01 00 00
{303} normal block at 0x0000012737DC5550, 8 bytes long.
Data: < e 7' > C0 65 DC 37 27 01 00 00
{294} normal block at 0x0000012737DAECF0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{293} normal block at 0x0000012737DC54B0, 16 bytes long.
Data: < d 7' > C8 64 DC 37 27 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000012737DC5820, 16 bytes long.
Data: < d 7' > A0 64 DC 37 27 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000012737DBFCE0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{290} normal block at 0x0000012737DC5780, 16 bytes long.
Data: <xd 7' > 78 64 DC 37 27 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000012737DC51E0, 16 bytes long.
Data: <Pd 7' > 50 64 DC 37 27 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000012737DC5F00, 16 bytes long.
Data: <(d 7' > 28 64 DC 37 27 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000012737DC5410, 16 bytes long.
Data: < d 7' > 00 64 DC 37 27 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000012737DC4B20, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{285} normal block at 0x0000012737DC5B40, 16 bytes long.
Data: < 7' > A8 8E DB 37 27 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000012737DBFB60, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{283} normal block at 0x0000012737DC5FF0, 16 bytes long.
Data: < 7' > 80 8E DB 37 27 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000012737DC5B90, 16 bytes long.
Data: <X 7' > 58 8E DB 37 27 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000012737DC5BE0, 16 bytes long.
Data: <0 7' > 30 8E DB 37 27 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000012737DC5730, 16 bytes long.
Data: < 7' > 08 8E DB 37 27 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000012737DC6130, 16 bytes long.
Data: < 7' > E0 8D DB 37 27 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000012737DC58C0, 16 bytes long.
Data: < 7' > B8 8D DB 37 27 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000012737DBF800, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{275} normal block at 0x0000012737DC53C0, 16 bytes long.
Data: < 7' > 90 8D DB 37 27 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000012737DB8D90, 320 bytes long.
Data: < S 7' 7' > C0 53 DC 37 27 01 00 00 00 F8 DB 37 27 01 00 00
{273} normal block at 0x0000012737DC5690, 16 bytes long.
Data: < c 7' > E0 63 DC 37 27 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000012737DC5CD0, 16 bytes long.
Data: < c 7' > B8 63 DC 37 27 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000012737DBF740, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{270} normal block at 0x0000012737DC5E10, 16 bytes long.
Data: < c 7' > 90 63 DC 37 27 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000012737DC0460, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{268} normal block at 0x0000012737DC5AA0, 16 bytes long.
Data: < b 7' > D8 62 DC 37 27 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000012737DC5FA0, 16 bytes long.
Data: < b 7' > B0 62 DC 37 27 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000012737DC5EB0, 16 bytes long.
Data: < b 7' > 88 62 DC 37 27 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000012737DC5370, 16 bytes long.
Data: <`b 7' > 60 62 DC 37 27 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000012737DC5460, 16 bytes long.
Data: <8b 7' > 38 62 DC 37 27 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000012737DC6040, 16 bytes long.
Data: < b 7' > 10 62 DC 37 27 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000012737DC5320, 16 bytes long.
Data: < L 7' > E0 4C DC 37 27 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000012737DC4CE0, 40 bytes long.
Data: < S 7' 7' > 20 53 DC 37 27 01 00 00 10 03 DB 37 27 01 00 00
{259} normal block at 0x0000012737DC55F0, 16 bytes long.
Data: < a 7' > F0 61 DC 37 27 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000012737DC5640, 16 bytes long.
Data: < a 7' > C8 61 DC 37 27 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000012737DBF860, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{256} normal block at 0x0000012737DC55A0, 16 bytes long.
Data: < a 7' > A0 61 DC 37 27 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000012737DC61A0, 992 bytes long.
Data: < U 7' ` 7' > A0 55 DC 37 27 01 00 00 60 F8 DB 37 27 01 00 00
{91} normal block at 0x0000012737DC0040, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{90} normal block at 0x0000012737DBED40, 16 bytes long.
Data: < 7' > D0 D3 DA 37 27 01 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x0000012737DAD3D0, 40 bytes long.
Data: <@ 7' @ 7' > 40 ED DB 37 27 01 00 00 40 00 DC 37 27 01 00 00
{66} normal block at 0x0000012737DBF330, 16 bytes long.
Data: < ` > 80 EA 88 60 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000012737DBEA70, 16 bytes long.
Data: <@ ` > 40 E9 88 60 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000012737DBE7F0, 16 bytes long.
Data: < W ` > F8 57 85 60 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000012737DBEDE0, 16 bytes long.
Data: < W ` > D8 57 85 60 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000012737DBE7A0, 16 bytes long.
Data: <P ` > 50 04 85 60 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000012737DBE930, 16 bytes long.
Data: <0 ` > 30 04 85 60 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000012737DBF0B0, 16 bytes long.
Data: < ` > E0 02 85 60 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000012737DBF1F0, 16 bytes long.
Data: < ` > 10 04 85 60 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000012737DBE6B0, 16 bytes long.
Data: <p ` > 70 04 85 60 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000012737DBEA20, 16 bytes long.
Data: < ` > 18 C0 83 60 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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