Task 38678814
| Name | test_506-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND4928_0 |
| Workunit | 31620619 |
| Created | 26 Oct 2026, 18:34:41 UTC |
| Sent | 26 Oct 2026, 18:34:44 UTC |
| Report deadline | 31 Oct 2026, 18:34:44 UTC |
| Received | 26 Oct 2026, 19:41:12 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 648712 |
| Run time | 45 min 6 sec |
| CPU time | 45 min 1 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 6,710.17 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 679.02 MB |
| Peak swap size | 6.75 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
02:55:53 (5112): wrapper (7.9.26016): starting
02:55:53 (5112): 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
02:55:54 (5112): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:55:54 (5112): 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
03:40:08 (5112): C:/Windows/system32/cmd.exe exited; CPU time 2701.562500
03:40:08 (5112): 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: 42848119 bytes.
Dumping objects ->
{3835255} normal block at 0x0000026A5D1C15D0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835244} normal block at 0x0000026A5D1C1480, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835233} normal block at 0x0000026A5D1C0D80, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835222} normal block at 0x0000026A5D1C0E60, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835211} normal block at 0x0000026A5D1C0A00, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835180} normal block at 0x0000026A5D2D2400, 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) : {3835167} normal block at 0x0000026A59A38D80, 8 bytes long.
Data: < N[j > 00 00 4E 5B 6A 02 00 00
{3834025} normal block at 0x0000026A59A38C90, 8 bytes long.
Data: <` Yj > 60 EB B0 59 6A 02 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x0000026A59A36B50, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000026A59A31760, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{288} normal block at 0x0000026A59A389C0, 16 bytes long.
Data: <8} Yj > 38 7D A3 59 6A 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000026A59A38150, 16 bytes long.
Data: < } Yj > 10 7D A3 59 6A 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000026A59A32690, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{285} normal block at 0x0000026A59A38B00, 16 bytes long.
Data: < | Yj > E8 7C A3 59 6A 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000026A59A38AB0, 16 bytes long.
Data: < | Yj > C0 7C A3 59 6A 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000026A59A38790, 16 bytes long.
Data: < | Yj > 98 7C A3 59 6A 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000026A59A38970, 16 bytes long.
Data: <p| Yj > 70 7C A3 59 6A 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000026A59A30EE0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{280} normal block at 0x0000026A59A38470, 16 bytes long.
Data: < Yj > F8 16 A3 59 6A 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000026A59A31BB0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{278} normal block at 0x0000026A59A34030, 16 bytes long.
Data: < Yj > D0 16 A3 59 6A 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000026A59A33EA0, 16 bytes long.
Data: < Yj > A8 16 A3 59 6A 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000026A59A342B0, 16 bytes long.
Data: < Yj > 80 16 A3 59 6A 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000026A59A33E00, 16 bytes long.
Data: <X Yj > 58 16 A3 59 6A 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000026A59A34120, 16 bytes long.
Data: <0 Yj > 30 16 A3 59 6A 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000026A59A33DB0, 16 bytes long.
Data: < Yj > 08 16 A3 59 6A 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000026A59A31910, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{270} normal block at 0x0000026A59A33D10, 16 bytes long.
Data: < Yj > E0 15 A3 59 6A 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000026A59A315E0, 320 bytes long.
Data: < = Yj Yj > 10 3D A3 59 6A 02 00 00 10 19 A3 59 6A 02 00 00
{268} normal block at 0x0000026A59A34300, 16 bytes long.
Data: <P| Yj > 50 7C A3 59 6A 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000026A59A33900, 16 bytes long.
Data: <(| Yj > 28 7C A3 59 6A 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000026A59A321B0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{265} normal block at 0x0000026A59A344E0, 16 bytes long.
Data: < | Yj > 00 7C A3 59 6A 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000026A59A32750, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{263} normal block at 0x0000026A59A33C70, 16 bytes long.
Data: <H{ Yj > 48 7B A3 59 6A 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000026A59A33B80, 16 bytes long.
Data: < { Yj > 20 7B A3 59 6A 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000026A59A34850, 16 bytes long.
Data: < z Yj > F8 7A A3 59 6A 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000026A59A33950, 16 bytes long.
Data: < z Yj > D0 7A A3 59 6A 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000026A59A33B30, 16 bytes long.
Data: < z Yj > A8 7A A3 59 6A 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000026A59A34710, 16 bytes long.
Data: < z Yj > 80 7A A3 59 6A 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000026A59A34670, 16 bytes long.
Data: < Yj > 20 0D A3 59 6A 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000026A59A30D20, 40 bytes long.
Data: <pF Yj $-]j > 70 46 A3 59 6A 02 00 00 00 24 2D 5D 6A 02 00 00
{254} normal block at 0x0000026A59A34210, 16 bytes long.
Data: <`z Yj > 60 7A A3 59 6A 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x0000026A59A33A90, 16 bytes long.
Data: <8z Yj > 38 7A A3 59 6A 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x0000026A59A32270, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{251} normal block at 0x0000026A59A33FE0, 16 bytes long.
Data: < z Yj > 10 7A A3 59 6A 02 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x0000026A59A37A10, 992 bytes long.
Data: < ? Yj p" Yj > E0 3F A3 59 6A 02 00 00 70 22 A3 59 6A 02 00 00
{86} normal block at 0x0000026A59A31B50, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{85} normal block at 0x0000026A59A34260, 16 bytes long.
Data: <p Yj > 70 0E A3 59 6A 02 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x0000026A59A30E70, 40 bytes long.
Data: <`B Yj P Yj > 60 42 A3 59 6A 02 00 00 50 1B A3 59 6A 02 00 00
{61} normal block at 0x0000026A59A33CC0, 16 bytes long.
Data: < 4 > 80 EA 34 A9 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000026A59A341C0, 16 bytes long.
Data: <@ 4 > 40 E9 34 A9 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000026A59A343F0, 16 bytes long.
Data: < W1 > F8 57 31 A9 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000026A59A33AE0, 16 bytes long.
Data: < W1 > D8 57 31 A9 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000026A59A33D60, 16 bytes long.
Data: <P 1 > 50 04 31 A9 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x0000026A59A34530, 16 bytes long.
Data: <0 1 > 30 04 31 A9 F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x0000026A59A34490, 16 bytes long.
Data: < 1 > E0 02 31 A9 F7 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x0000026A59A339F0, 16 bytes long.
Data: < 1 > 10 04 31 A9 F7 7F 00 00 00 00 00 00 00 00 00 00
{53} normal block at 0x0000026A59A34440, 16 bytes long.
Data: <p 1 > 70 04 31 A9 F7 7F 00 00 00 00 00 00 00 00 00 00
{52} normal block at 0x0000026A59A34350, 16 bytes long.
Data: < / > 18 C0 2F A9 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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