Task 38676041
| Name | test_685-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND8877_0 |
| Workunit | 31617977 |
| Created | 26 Oct 2026, 10:05:25 UTC |
| Sent | 26 Oct 2026, 10:05:27 UTC |
| Report deadline | 31 Oct 2026, 10:05:27 UTC |
| Received | 26 Oct 2026, 11:47:58 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 602451 |
| Run time | 1 hours 41 min 7 sec |
| CPU time | 1 hours 36 min 18 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 2,200.06 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 684.97 MB |
| Peak swap size | 5.20 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
11:06:30 (12740): wrapper (7.9.26016): starting
11:06:30 (12740): 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
11:06:31 (12740): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:06:31 (12740): 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\1\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\1\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
12:47:41 (12740): C:/Windows/system32/cmd.exe exited; CPU time 5778.203125
12:47:41 (12740): 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: 97064349 bytes.
Dumping objects ->
{3835513} normal block at 0x0000026F9B224CD0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835502} normal block at 0x0000026F9B224A30, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835491} normal block at 0x0000026F9B2248E0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835480} normal block at 0x0000026F9B224950, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835469} normal block at 0x0000026F9B224F70, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835438} normal block at 0x0000026F9CEABAF0, 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) : {3835425} normal block at 0x0000026F9B21F240, 8 bytes long.
Data: < ›o > 00 00 1C 9B 6F 02 00 00
{3833967} normal block at 0x0000026F9B21E930, 8 bytes long.
Data: <Ð3ðœo > D0 33 F0 9C 6F 02 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000026F9B220E50, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x0000026F9B216A80, 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 0x0000026F9B225810, 16 bytes long.
Data: < i"›o > 18 69 22 9B 6F 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000026F9B225EA0, 16 bytes long.
Data: <ðh"›o > F0 68 22 9B 6F 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000026F9B220240, 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 0x0000026F9B225E50, 16 bytes long.
Data: <Èh"›o > C8 68 22 9B 6F 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000026F9B2257C0, 16 bytes long.
Data: < h"›o > A0 68 22 9B 6F 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000026F9B225680, 16 bytes long.
Data: <xh"›o > 78 68 22 9B 6F 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000026F9B2260D0, 16 bytes long.
Data: <Ph"›o > 50 68 22 9B 6F 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000026F9B224D40, 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 0x0000026F9B225E00, 16 bytes long.
Data: <øç!›o > F8 E7 21 9B 6F 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000026F9B21FD00, 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 0x0000026F9B225CC0, 16 bytes long.
Data: <Ðç!›o > D0 E7 21 9B 6F 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000026F9B2256D0, 16 bytes long.
Data: <¨ç!›o > A8 E7 21 9B 6F 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000026F9B225DB0, 16 bytes long.
Data: < ç!›o > 80 E7 21 9B 6F 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000026F9B226580, 16 bytes long.
Data: <Xç!›o > 58 E7 21 9B 6F 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000026F9B226440, 16 bytes long.
Data: <0ç!›o > 30 E7 21 9B 6F 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000026F9B2263F0, 16 bytes long.
Data: < ç!›o > 08 E7 21 9B 6F 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000026F9B220300, 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 0x0000026F9B225FE0, 16 bytes long.
Data: <àæ!›o > E0 E6 21 9B 6F 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000026F9B21E6E0, 320 bytes long.
Data: <à_"›o "›o > E0 5F 22 9B 6F 02 00 00 00 03 22 9B 6F 02 00 00
{279} normal block at 0x0000026F9B2263A0, 16 bytes long.
Data: <0h"›o > 30 68 22 9B 6F 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000026F9B226300, 16 bytes long.
Data: < h"›o > 08 68 22 9B 6F 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000026F9B220540, 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 0x0000026F9B226210, 16 bytes long.
Data: <àg"›o > E0 67 22 9B 6F 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000026F9B21FBE0, 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 0x0000026F9B225D60, 16 bytes long.
Data: <(g"›o > 28 67 22 9B 6F 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000026F9B2264E0, 16 bytes long.
Data: < g"›o > 00 67 22 9B 6F 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000026F9B225BD0, 16 bytes long.
Data: <Øf"›o > D8 66 22 9B 6F 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000026F9B226120, 16 bytes long.
Data: <°f"›o > B0 66 22 9B 6F 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000026F9B226350, 16 bytes long.
Data: < f"›o > 88 66 22 9B 6F 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000026F9B225720, 16 bytes long.
Data: <`f"›o > 60 66 22 9B 6F 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000026F9B225A90, 16 bytes long.
Data: < J"›o > A0 4A 22 9B 6F 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000026F9B224AA0, 40 bytes long.
Data: < Z"›o ðºêœo > 90 5A 22 9B 6F 02 00 00 F0 BA EA 9C 6F 02 00 00
{265} normal block at 0x0000026F9B225A40, 16 bytes long.
Data: <@f"›o > 40 66 22 9B 6F 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000026F9B226490, 16 bytes long.
Data: < f"›o > 18 66 22 9B 6F 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000026F9B220120, 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 0x0000026F9B226530, 16 bytes long.
Data: <ðe"›o > F0 65 22 9B 6F 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000026F9B2265F0, 992 bytes long.
Data: <0e"›o "›o > 30 65 22 9B 6F 02 00 00 20 01 22 9B 6F 02 00 00
{97} normal block at 0x0000026F9B21FFA0, 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 0x0000026F9B21F880, 16 bytes long.
Data: < ð ›o > 00 F0 20 9B 6F 02 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x0000026F9B20F000, 40 bytes long.
Data: < ø!›o  ÿ!›o > 80 F8 21 9B 6F 02 00 00 A0 FF 21 9B 6F 02 00 00
{74} normal block at 0x0000026F9B21F6A0, 16 bytes long.
Data: < ê J÷ > 80 EA 1A 4A F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000026F9B21F5B0, 16 bytes long.
Data: <@é J÷ > 40 E9 1A 4A F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000026F9B21F510, 16 bytes long.
Data: <øW J÷ > F8 57 17 4A F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000026F9B21F4C0, 16 bytes long.
Data: <ØW J÷ > D8 57 17 4A F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000026F9B21EB10, 16 bytes long.
Data: <P J÷ > 50 04 17 4A F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000026F9B21F060, 16 bytes long.
Data: <0 J÷ > 30 04 17 4A F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000026F9B21F740, 16 bytes long.
Data: <à J÷ > E0 02 17 4A F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000026F9B21EE80, 16 bytes long.
Data: < J÷ > 10 04 17 4A F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000026F9B21F3D0, 16 bytes long.
Data: <p J÷ > 70 04 17 4A F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000026F9B21F650, 16 bytes long.
Data: < À J÷ > 18 C0 15 4A F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra