Task 38680866
| Name | test_775-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND7476_0 |
| Workunit | 31622563 |
| Created | 27 Oct 2026, 2:01:16 UTC |
| Sent | 27 Oct 2026, 2:01:20 UTC |
| Report deadline | 1 Nov 2026, 2:01:20 UTC |
| Received | 27 Oct 2026, 3:07:47 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 644440 |
| Run time | 1 hours 3 min 5 sec |
| CPU time | 1 hours 3 min 5 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 8,090.66 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 743.33 MB |
| Peak swap size | 12.90 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
22:03:14 (96716): wrapper (7.9.26016): starting
22:03:14 (96716): 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
22:03:15 (96716): Library/usr/bin/tar.exe exited; CPU time 0.046875
22:03:15 (96716): 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\32\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\32\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
23:07:05 (96716): C:/Windows/system32/cmd.exe exited; CPU time 3785.703125
23:07:05 (96716): 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: 106761051 bytes.
Dumping objects ->
{3835512} normal block at 0x000001BD29122300, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835501} normal block at 0x000001BD2739A1D0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835490} normal block at 0x000001BD2739A0F0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835479} normal block at 0x000001BD2739A080, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835468} normal block at 0x000001BD2739A010, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835437} normal block at 0x000001BD2916BED0, 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) : {3835424} normal block at 0x000001BD273919F0, 8 bytes long.
Data: < “'½ > 00 00 93 27 BD 01 00 00
{3833965} normal block at 0x000001BD27391950, 8 bytes long.
Data: < ® )½ > 90 AE 11 29 BD 01 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001BD273899F0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001BD2738A3B0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{298} normal block at 0x000001BD2739B110, 16 bytes long.
Data: < º9'½ > 98 BA 39 27 BD 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001BD2739B660, 16 bytes long.
Data: <pº9'½ > 70 BA 39 27 BD 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001BD27393B60, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{295} normal block at 0x000001BD2739AAD0, 16 bytes long.
Data: <Hº9'½ > 48 BA 39 27 BD 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001BD2739B430, 16 bytes long.
Data: < º9'½ > 20 BA 39 27 BD 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001BD2739AA30, 16 bytes long.
Data: <ø¹9'½ > F8 B9 39 27 BD 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001BD2739B3E0, 16 bytes long.
Data: <й9'½ > D0 B9 39 27 BD 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001BD2739A160, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{290} normal block at 0x000001BD2739A990, 16 bytes long.
Data: <øÏ8'½ > F8 CF 38 27 BD 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001BD27393D40, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{288} normal block at 0x000001BD2739B340, 16 bytes long.
Data: <ÐÏ8'½ > D0 CF 38 27 BD 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001BD2739AD50, 16 bytes long.
Data: <¨Ï8'½ > A8 CF 38 27 BD 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001BD2739B2A0, 16 bytes long.
Data: < Ï8'½ > 80 CF 38 27 BD 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001BD2739B610, 16 bytes long.
Data: <XÏ8'½ > 58 CF 38 27 BD 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001BD2739B160, 16 bytes long.
Data: <0Ï8'½ > 30 CF 38 27 BD 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001BD2739B0C0, 16 bytes long.
Data: < Ï8'½ > 08 CF 38 27 BD 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001BD27394820, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{280} normal block at 0x000001BD2739B570, 16 bytes long.
Data: <àÎ8'½ > E0 CE 38 27 BD 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001BD2738CEE0, 320 bytes long.
Data: <pµ9'½ H9'½ > 70 B5 39 27 BD 01 00 00 20 48 39 27 BD 01 00 00
{278} normal block at 0x000001BD2739B5C0, 16 bytes long.
Data: <°¹9'½ > B0 B9 39 27 BD 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001BD2739B020, 16 bytes long.
Data: < ¹9'½ > 88 B9 39 27 BD 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001BD27393A40, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{275} normal block at 0x000001BD2739B200, 16 bytes long.
Data: <`¹9'½ > 60 B9 39 27 BD 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001BD27394640, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{273} normal block at 0x000001BD2739AEE0, 16 bytes long.
Data: <¨¸9'½ > A8 B8 39 27 BD 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001BD2739AE90, 16 bytes long.
Data: < ¸9'½ > 80 B8 39 27 BD 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001BD2739A7B0, 16 bytes long.
Data: <X¸9'½ > 58 B8 39 27 BD 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001BD2739AE40, 16 bytes long.
Data: <0¸9'½ > 30 B8 39 27 BD 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001BD2739A8F0, 16 bytes long.
Data: < ¸9'½ > 08 B8 39 27 BD 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001BD2739B520, 16 bytes long.
Data: <à·9'½ > E0 B7 39 27 BD 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001BD2739AFD0, 16 bytes long.
Data: <à¤9'½ > E0 A4 39 27 BD 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001BD2739A4E0, 40 bytes long.
Data: <Я9'½ о )½ > D0 AF 39 27 BD 01 00 00 D0 BE 16 29 BD 01 00 00
{264} normal block at 0x000001BD2739B390, 16 bytes long.
Data: <À·9'½ > C0 B7 39 27 BD 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001BD2739B2F0, 16 bytes long.
Data: < ·9'½ > 98 B7 39 27 BD 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001BD27394760, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{261} normal block at 0x000001BD2739AC60, 16 bytes long.
Data: <p·9'½ > 70 B7 39 27 BD 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001BD2739B770, 992 bytes long.
Data: <`¬9'½ `G9'½ > 60 AC 39 27 BD 01 00 00 60 47 39 27 BD 01 00 00
{96} normal block at 0x000001BD27393AA0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{95} normal block at 0x000001BD27392530, 16 bytes long.
Data: <Àô7'½ > C0 F4 37 27 BD 01 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x000001BD2737F4C0, 40 bytes long.
Data: <0%9'½  :9'½ > 30 25 39 27 BD 01 00 00 A0 3A 39 27 BD 01 00 00
{73} normal block at 0x000001BD273917C0, 16 bytes long.
Data: < êaå÷ > 80 EA 61 E5 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001BD27391A40, 16 bytes long.
Data: <@éaå÷ > 40 E9 61 E5 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001BD27391810, 16 bytes long.
Data: <øW^å÷ > F8 57 5E E5 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001BD27392490, 16 bytes long.
Data: <ØW^å÷ > D8 57 5E E5 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001BD27392440, 16 bytes long.
Data: <P ^å÷ > 50 04 5E E5 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001BD27391860, 16 bytes long.
Data: <0 ^å÷ > 30 04 5E E5 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001BD27392210, 16 bytes long.
Data: <à ^å÷ > E0 02 5E E5 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001BD27391BD0, 16 bytes long.
Data: < ^å÷ > 10 04 5E E5 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001BD273921C0, 16 bytes long.
Data: <p ^å÷ > 70 04 5E E5 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001BD27391E00, 16 bytes long.
Data: < À\å÷ > 18 C0 5C E5 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra