Task 38687440
| Name | test_417-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND8144_0 |
| Workunit | 31628830 |
| Created | 28 Oct 2026, 7:50:14 UTC |
| Sent | 28 Oct 2026, 7:50:19 UTC |
| Report deadline | 2 Nov 2026, 7:50:19 UTC |
| Received | 28 Oct 2026, 8:39:43 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 648712 |
| Run time | 47 min 31 sec |
| CPU time | 47 min 7 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 | 653.86 MB |
| Peak swap size | 6.77 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
15:52:21 (28412): wrapper (7.9.26016): starting
15:52:21 (28412): 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
15:52:22 (28412): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:52:22 (28412): 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
16:38:48 (28412): C:/Windows/system32/cmd.exe exited; CPU time 2827.296875
16:38:48 (28412): 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: 42414683 bytes.
Dumping objects ->
{3835255} normal block at 0x00000211F1890F40, 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 0x00000211F1890D10, 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 0x00000211F1891170, 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 0x00000211F1890A70, 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 0x00000211F18913A0, 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 0x00000211F19A1400, 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 0x00000211EE0B8970, 8 bytes long.
Data: < > 00 00 B0 EF 11 02 00 00
{3834025} normal block at 0x00000211EE0B81A0, 8 bytes long.
Data: <` > 60 EB 18 EE 11 02 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x00000211EE0B6B50, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000211EE0B1760, 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 0x00000211EE0B8010, 16 bytes long.
Data: <8} > 38 7D 0B EE 11 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000211EE0B8B00, 16 bytes long.
Data: < } > 10 7D 0B EE 11 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000211EE0B20F0, 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 0x00000211EE0B82E0, 16 bytes long.
Data: < | > E8 7C 0B EE 11 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000211EE0B8740, 16 bytes long.
Data: < | > C0 7C 0B EE 11 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000211EE0B8B50, 16 bytes long.
Data: < | > 98 7C 0B EE 11 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000211EE0B8A10, 16 bytes long.
Data: <p| > 70 7C 0B EE 11 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000211EE0B0E70, 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 0x00000211EE0B88D0, 16 bytes long.
Data: < > F8 16 0B EE 11 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000211EE0B22D0, 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 0x00000211EE0B3A40, 16 bytes long.
Data: < > D0 16 0B EE 11 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000211EE0B39F0, 16 bytes long.
Data: < > A8 16 0B EE 11 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000211EE0B4300, 16 bytes long.
Data: < > 80 16 0B EE 11 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000211EE0B46C0, 16 bytes long.
Data: <X > 58 16 0B EE 11 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000211EE0B44E0, 16 bytes long.
Data: <0 > 30 16 0B EE 11 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000211EE0B4210, 16 bytes long.
Data: < > 08 16 0B EE 11 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000211EE0B1A30, 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 0x00000211EE0B3E00, 16 bytes long.
Data: < > E0 15 0B EE 11 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000211EE0B15E0, 320 bytes long.
Data: < > 0 > 00 3E 0B EE 11 02 00 00 30 1A 0B EE 11 02 00 00
{268} normal block at 0x00000211EE0B42B0, 16 bytes long.
Data: <P| > 50 7C 0B EE 11 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000211EE0B3C70, 16 bytes long.
Data: <(| > 28 7C 0B EE 11 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000211EE0B1910, 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 0x00000211EE0B3FE0, 16 bytes long.
Data: < | > 00 7C 0B EE 11 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000211EE0B1C10, 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 0x00000211EE0B4670, 16 bytes long.
Data: <H{ > 48 7B 0B EE 11 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000211EE0B4440, 16 bytes long.
Data: < { > 20 7B 0B EE 11 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000211EE0B40D0, 16 bytes long.
Data: < z > F8 7A 0B EE 11 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000211EE0B4580, 16 bytes long.
Data: < z > D0 7A 0B EE 11 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000211EE0B4080, 16 bytes long.
Data: < z > A8 7A 0B EE 11 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000211EE0B3C20, 16 bytes long.
Data: < z > 80 7A 0B EE 11 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000211EE0B3BD0, 16 bytes long.
Data: < > E0 07 0B EE 11 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x00000211EE0B07E0, 40 bytes long.
Data: < ; > D0 3B 0B EE 11 02 00 00 00 14 9A F1 11 02 00 00
{254} normal block at 0x00000211EE0B4030, 16 bytes long.
Data: <`z > 60 7A 0B EE 11 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x00000211EE0B3B80, 16 bytes long.
Data: <8z > 38 7A 0B EE 11 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x00000211EE0B2030, 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 0x00000211EE0B4350, 16 bytes long.
Data: < z > 10 7A 0B EE 11 02 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x00000211EE0B7A10, 992 bytes long.
Data: <PC 0 > 50 43 0B EE 11 02 00 00 30 20 0B EE 11 02 00 00
{86} normal block at 0x00000211EE0B19D0, 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 0x00000211EE0B41C0, 16 bytes long.
Data: < > E0 0E 0B EE 11 02 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x00000211EE0B0EE0, 40 bytes long.
Data: < A > C0 41 0B EE 11 02 00 00 D0 19 0B EE 11 02 00 00
{61} normal block at 0x00000211EE0B3D10, 16 bytes long.
Data: < > 80 EA D8 A7 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000211EE0B4620, 16 bytes long.
Data: <@ > 40 E9 D8 A7 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000211EE0B43A0, 16 bytes long.
Data: < W > F8 57 D5 A7 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x00000211EE0B4120, 16 bytes long.
Data: < W > D8 57 D5 A7 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x00000211EE0B4530, 16 bytes long.
Data: <P > 50 04 D5 A7 F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x00000211EE0B4260, 16 bytes long.
Data: <0 > 30 04 D5 A7 F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x00000211EE0B3E50, 16 bytes long.
Data: < > E0 02 D5 A7 F6 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x00000211EE0B3CC0, 16 bytes long.
Data: < > 10 04 D5 A7 F6 7F 00 00 00 00 00 00 00 00 00 00
{53} normal block at 0x00000211EE0B3EF0, 16 bytes long.
Data: <p > 70 04 D5 A7 F6 7F 00 00 00 00 00 00 00 00 00 00
{52} normal block at 0x00000211EE0B3EA0, 16 bytes long.
Data: < > 18 C0 D3 A7 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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