Task 38666949
| Name | test_569-GPUGRID_TEST_ATM_40STEP_20261023-6-40-RND3902_0 |
| Workunit | 31609671 |
| Created | 25 Oct 2026, 5:36:31 UTC |
| Sent | 25 Oct 2026, 5:37:44 UTC |
| Report deadline | 30 Oct 2026, 5:37:44 UTC |
| Received | 25 Oct 2026, 7:38:18 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 575758 |
| Run time | 1 hours 16 min 40 sec |
| CPU time | 1 hours 7 min 57 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 7,069.21 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 714.26 MB |
| Peak swap size | 5.28 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:41:14 (34428): wrapper (7.9.26016): starting
06:41:14 (34428): 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
06:41:16 (34428): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:41:16 (34428): 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\10\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\10\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
08:36:57 (34428): C:/Windows/system32/cmd.exe exited; CPU time 4077.187500
08:36:57 (34428): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 Normal Blocks.
2288 bytes in 2 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 95057161 bytes.
Dumping objects ->
{3835511} normal block at 0x000001A6E2AADD80, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835500} normal block at 0x000001A6E2AAD7D0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835489} normal block at 0x000001A6E2AAD450, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835478} normal block at 0x000001A6E2AAD290, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835467} normal block at 0x000001A6E0DA5190, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835436} normal block at 0x000001A6E2AFC5C0, 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) : {3835423} normal block at 0x000001A6E0D9E7B0, 8 bytes long.
Data: < &ᦠ> 00 00 26 E1 A6 01 00 00
{3833967} normal block at 0x000001A6E0D9F4D0, 8 bytes long.
Data: <@¿°â¦ > 40 BF B0 E2 A6 01 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001A6E0D962E0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001A6E0D972F0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{299} normal block at 0x000001A6E0DA6860, 16 bytes long.
Data: < lÚঠ> 98 6C DA E0 A6 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001A6E0DA6810, 16 bytes long.
Data: <plÚঠ> 70 6C DA E0 A6 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001A6E0DA0690, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{296} normal block at 0x000001A6E0DA6680, 16 bytes long.
Data: <HlÚঠ> 48 6C DA E0 A6 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001A6E0DA5E10, 16 bytes long.
Data: < lÚঠ> 20 6C DA E0 A6 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001A6E0DA61D0, 16 bytes long.
Data: <økÚঠ> F8 6B DA E0 A6 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001A6E0DA5D70, 16 bytes long.
Data: <ÐkÚঠ> D0 6B DA E0 A6 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001A6E0DA5270, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{291} normal block at 0x000001A6E0DA5A50, 16 bytes long.
Data: <Ø Ùঠ> D8 00 D9 E0 A6 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001A6E0DA0810, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{289} normal block at 0x000001A6E0DA6220, 16 bytes long.
Data: <° Ùঠ> B0 00 D9 E0 A6 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001A6E0DA5F50, 16 bytes long.
Data: < Ùঠ> 88 00 D9 E0 A6 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001A6E0DA62C0, 16 bytes long.
Data: <` Ùঠ> 60 00 D9 E0 A6 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001A6E0DA64A0, 16 bytes long.
Data: <8 Ùঠ> 38 00 D9 E0 A6 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001A6E0DA5A00, 16 bytes long.
Data: < Ùঠ> 10 00 D9 E0 A6 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001A6E0DA5CD0, 16 bytes long.
Data: <èÿØঠ> E8 FF D8 E0 A6 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001A6E0DA0630, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{281} normal block at 0x000001A6E0DA6090, 16 bytes long.
Data: <ÀÿØঠ> C0 FF D8 E0 A6 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001A6E0D8FFC0, 320 bytes long.
Data: < `Úঠ0 Úঠ> 90 60 DA E0 A6 01 00 00 30 06 DA E0 A6 01 00 00
{279} normal block at 0x000001A6E0DA5DC0, 16 bytes long.
Data: <°kÚঠ> B0 6B DA E0 A6 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001A6E0DA6900, 16 bytes long.
Data: < kÚঠ> 88 6B DA E0 A6 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001A6E0DA0E10, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{276} normal block at 0x000001A6E0DA5B40, 16 bytes long.
Data: <`kÚঠ> 60 6B DA E0 A6 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001A6E0DA07B0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{274} normal block at 0x000001A6E0DA6040, 16 bytes long.
Data: <¨jÚঠ> A8 6A DA E0 A6 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001A6E0DA6180, 16 bytes long.
Data: < jÚঠ> 80 6A DA E0 A6 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001A6E0DA6130, 16 bytes long.
Data: <XjÚঠ> 58 6A DA E0 A6 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001A6E0DA5C30, 16 bytes long.
Data: <0jÚঠ> 30 6A DA E0 A6 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001A6E0DA5BE0, 16 bytes long.
Data: < jÚঠ> 08 6A DA E0 A6 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001A6E0DA66D0, 16 bytes long.
Data: <àiÚঠ> E0 69 DA E0 A6 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001A6E0DA5C80, 16 bytes long.
Data: <@PÚঠ> 40 50 DA E0 A6 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001A6E0DA5040, 40 bytes long.
Data: < \ÚঠÀů⦠> 80 5C DA E0 A6 01 00 00 C0 C5 AF E2 A6 01 00 00
{265} normal block at 0x000001A6E0DA5D20, 16 bytes long.
Data: <ÀiÚঠ> C0 69 DA E0 A6 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001A6E0DA67C0, 16 bytes long.
Data: < iÚঠ> 98 69 DA E0 A6 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001A6E0DA03F0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{262} normal block at 0x000001A6E0DA5EB0, 16 bytes long.
Data: <piÚঠ> 70 69 DA E0 A6 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001A6E0DA6970, 992 bytes long.
Data: <°^Úঠð Úঠ> B0 5E DA E0 A6 01 00 00 F0 03 DA E0 A6 01 00 00
{97} normal block at 0x000001A6E0DA0DB0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{96} normal block at 0x000001A6E0D9EFD0, 16 bytes long.
Data: <ÀLÚঠ> C0 4C DA E0 A6 01 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x000001A6E0DA4CC0, 40 bytes long.
Data: <ÐïÙঠ° Úঠ> D0 EF D9 E0 A6 01 00 00 B0 0D DA E0 A6 01 00 00
{74} normal block at 0x000001A6E0D9E990, 16 bytes long.
Data: < êV¡÷ > 80 EA 56 A1 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001A6E0D9F0C0, 16 bytes long.
Data: <@éV¡÷ > 40 E9 56 A1 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001A6E0D9E9E0, 16 bytes long.
Data: <øWS¡÷ > F8 57 53 A1 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001A6E0D9F430, 16 bytes long.
Data: <ØWS¡÷ > D8 57 53 A1 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001A6E0D9F390, 16 bytes long.
Data: <P S¡÷ > 50 04 53 A1 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001A6E0D9EB20, 16 bytes long.
Data: <0 S¡÷ > 30 04 53 A1 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001A6E0D9F5C0, 16 bytes long.
Data: <à S¡÷ > E0 02 53 A1 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001A6E0D9E800, 16 bytes long.
Data: < S¡÷ > 10 04 53 A1 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001A6E0D9ED50, 16 bytes long.
Data: <p S¡÷ > 70 04 53 A1 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001A6E0D9EE40, 16 bytes long.
Data: < ÀQ¡÷ > 18 C0 51 A1 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra