Task 38679403
| Name | test_92-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND3868_0 |
| Workunit | 31621179 |
| Created | 26 Oct 2026, 20:26:19 UTC |
| Sent | 26 Oct 2026, 20:26:20 UTC |
| Report deadline | 31 Oct 2026, 20:26:20 UTC |
| Received | 26 Oct 2026, 21:59:03 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 648712 |
| Run time | 45 min 2 sec |
| CPU time | 44 min 55 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 | 675.75 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>
05:11:41 (34656): wrapper (7.9.26016): starting
05:11:41 (34656): 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
05:11:42 (34656): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:11:42 (34656): 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
05:55:52 (34656): C:/Windows/system32/cmd.exe exited; CPU time 2695.953125
05:55:52 (34656): 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: 42573405 bytes.
Dumping objects ->
{3835255} normal block at 0x0000026B2F63C8E0, 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 0x0000026B2F63C1E0, 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 0x0000026B2F63C4F0, 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 0x0000026B2F63BF40, 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 0x0000026B2F63C020, 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 0x0000026B33034FC0, 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 0x0000026B2F638BA0, 8 bytes long.
Data: < 1k > 00 00 16 31 6B 02 00 00
{3834025} normal block at 0x0000026B2F6398C0, 8 bytes long.
Data: <` c/k > 60 A2 63 2F 6B 02 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x0000026B2F637460, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000026B2F6383A0, 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 0x0000026B2F639780, 16 bytes long.
Data: < c/k > B8 89 63 2F 6B 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000026B2F639460, 16 bytes long.
Data: < c/k > 90 89 63 2F 6B 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000026B2F6330C0, 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 0x0000026B2F638BF0, 16 bytes long.
Data: <h c/k > 68 89 63 2F 6B 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000026B2F6395A0, 16 bytes long.
Data: <@ c/k > 40 89 63 2F 6B 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000026B2F6392D0, 16 bytes long.
Data: < c/k > 18 89 63 2F 6B 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000026B2F639280, 16 bytes long.
Data: < c/k > F0 88 63 2F 6B 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000026B2F631AA0, 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 0x0000026B2F638DD0, 16 bytes long.
Data: <8 c/k > 38 83 63 2F 6B 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000026B2F632BE0, 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 0x0000026B2F6352D0, 16 bytes long.
Data: < c/k > 10 83 63 2F 6B 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000026B2F635230, 16 bytes long.
Data: < c/k > E8 82 63 2F 6B 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000026B2F6353C0, 16 bytes long.
Data: < c/k > C0 82 63 2F 6B 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000026B2F634BF0, 16 bytes long.
Data: < c/k > 98 82 63 2F 6B 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000026B2F635550, 16 bytes long.
Data: <p c/k > 70 82 63 2F 6B 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000026B2F635140, 16 bytes long.
Data: <H c/k > 48 82 63 2F 6B 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000026B2F632A00, 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 0x0000026B2F634BA0, 16 bytes long.
Data: < c/k > 20 82 63 2F 6B 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000026B2F638220, 320 bytes long.
Data: < Kc/k *c/k > A0 4B 63 2F 6B 02 00 00 00 2A 63 2F 6B 02 00 00
{268} normal block at 0x0000026B2F635050, 16 bytes long.
Data: < c/k > D0 88 63 2F 6B 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000026B2F634A10, 16 bytes long.
Data: < c/k > A8 88 63 2F 6B 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000026B2F632760, 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 0x0000026B2F6349C0, 16 bytes long.
Data: < c/k > 80 88 63 2F 6B 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000026B2F633060, 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 0x0000026B2F634F60, 16 bytes long.
Data: < c/k > C8 87 63 2F 6B 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000026B2F6355A0, 16 bytes long.
Data: < c/k > A0 87 63 2F 6B 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000026B2F635370, 16 bytes long.
Data: <x c/k > 78 87 63 2F 6B 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000026B2F634F10, 16 bytes long.
Data: <P c/k > 50 87 63 2F 6B 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000026B2F634EC0, 16 bytes long.
Data: <( c/k > 28 87 63 2F 6B 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000026B2F635500, 16 bytes long.
Data: < c/k > 00 87 63 2F 6B 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000026B2F634E20, 16 bytes long.
Data: < c/k > 00 18 63 2F 6B 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000026B2F631800, 40 bytes long.
Data: < Nc/k O 3k > 20 4E 63 2F 6B 02 00 00 C0 4F 03 33 6B 02 00 00
{254} normal block at 0x0000026B2F6354B0, 16 bytes long.
Data: < c/k > E0 86 63 2F 6B 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x0000026B2F634C40, 16 bytes long.
Data: < c/k > B8 86 63 2F 6B 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x0000026B2F6329A0, 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 0x0000026B2F634B50, 16 bytes long.
Data: < c/k > 90 86 63 2F 6B 02 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x0000026B2F638690, 992 bytes long.
Data: <PKc/k )c/k > 50 4B 63 2F 6B 02 00 00 A0 29 63 2F 6B 02 00 00
{86} normal block at 0x0000026B2F633420, 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 0x0000026B2F634E70, 16 bytes long.
Data: <@ c/k > 40 16 63 2F 6B 02 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x0000026B2F631640, 40 bytes long.
Data: <pNc/k 4c/k > 70 4E 63 2F 6B 02 00 00 20 34 63 2F 6B 02 00 00
{61} normal block at 0x0000026B2F634CE0, 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 0x0000026B2F634920, 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 0x0000026B2F634790, 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 0x0000026B2F6350A0, 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 0x0000026B2F634C90, 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 0x0000026B2F6350F0, 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 0x0000026B2F634D80, 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 0x0000026B2F6347E0, 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 0x0000026B2F635000, 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 0x0000026B2F634740, 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>
]]>
©2026 Universitat Pompeu Fabra