Task 38649782
| Name | test_215-GPUGRID_TEST_ATM_4STEP_20261023-1-4-RND5228_0 |
| Workunit | 31594359 |
| Created | 23 Oct 2026, 22:04:44 UTC |
| Sent | 23 Oct 2026, 22:21:53 UTC |
| Report deadline | 28 Oct 2026, 22:21:53 UTC |
| Received | 23 Oct 2026, 23:11:22 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 629480 |
| Run time | 24 min 56 sec |
| CPU time | 23 min 20 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 22,590.50 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 741.31 MB |
| Peak swap size | 9.90 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
17:47:07 (32432): wrapper (7.9.26016): starting
17:47:07 (32432): 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
17:47:08 (32432): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:47:08 (32432): 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
18:11:02 (32432): C:/Windows/system32/cmd.exe exited; CPU time 1400.234375
18:11:02 (32432): 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: 30988165 bytes.
Dumping objects ->
{3835519} normal block at 0x000001EE13E6D6C0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835508} normal block at 0x000001EE13E6DCE0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835497} normal block at 0x000001EE13E6D340, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835486} normal block at 0x000001EE120E4A60, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835475} normal block at 0x000001EE120E4BB0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835444} normal block at 0x000001EE13EB4480, 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) : {3835431} normal block at 0x000001EE120DED40, 8 bytes long.
Data: < p î > 00 00 70 12 EE 01 00 00
{3833959} normal block at 0x000001EE120DE930, 8 bytes long.
Data: < Yñ î > A0 59 F1 13 EE 01 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001EE120E1580, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001EE120D6990, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x000001EE120E5930, 16 bytes long.
Data: <Øe î > D8 65 0E 12 EE 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001EE120E5520, 16 bytes long.
Data: <°e î > B0 65 0E 12 EE 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001EE120DF990, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x000001EE120E5C00, 16 bytes long.
Data: < e î > 88 65 0E 12 EE 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001EE120E56B0, 16 bytes long.
Data: <`e î > 60 65 0E 12 EE 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001EE120E54D0, 16 bytes long.
Data: <8e î > 38 65 0E 12 EE 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001EE120E53E0, 16 bytes long.
Data: < e î > 10 65 0E 12 EE 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001EE120E4C20, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x000001EE120E5390, 16 bytes long.
Data: <¸å î > B8 E5 0C 12 EE 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001EE120DF810, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x000001EE120E60B0, 16 bytes long.
Data: < å î > 90 E5 0C 12 EE 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001EE120E52F0, 16 bytes long.
Data: <hå î > 68 E5 0C 12 EE 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001EE120E58E0, 16 bytes long.
Data: <@å î > 40 E5 0C 12 EE 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001EE120E5BB0, 16 bytes long.
Data: < å î > 18 E5 0C 12 EE 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001EE120E55C0, 16 bytes long.
Data: <ðä î > F0 E4 0C 12 EE 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001EE120E61F0, 16 bytes long.
Data: <Èä î > C8 E4 0C 12 EE 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001EE120DFE10, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x000001EE120E6150, 16 bytes long.
Data: < ä î > A0 E4 0C 12 EE 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001EE120CE4A0, 320 bytes long.
Data: <Pa î þ î > 50 61 0E 12 EE 01 00 00 10 FE 0D 12 EE 01 00 00
{275} normal block at 0x000001EE120E5D90, 16 bytes long.
Data: <ðd î > F0 64 0E 12 EE 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001EE120E6240, 16 bytes long.
Data: <Èd î > C8 64 0E 12 EE 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001EE120E05F0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x000001EE120E5660, 16 bytes long.
Data: < d î > A0 64 0E 12 EE 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001EE120E06B0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x000001EE120E5430, 16 bytes long.
Data: <èc î > E8 63 0E 12 EE 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001EE120E6100, 16 bytes long.
Data: <Àc î > C0 63 0E 12 EE 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001EE120E5DE0, 16 bytes long.
Data: < c î > 98 63 0E 12 EE 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001EE120E5610, 16 bytes long.
Data: <pc î > 70 63 0E 12 EE 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001EE120E5FC0, 16 bytes long.
Data: <Hc î > 48 63 0E 12 EE 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001EE120E5340, 16 bytes long.
Data: < c î > 20 63 0E 12 EE 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001EE120E61A0, 16 bytes long.
Data: < I î > 10 49 0E 12 EE 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001EE120E4910, 40 bytes long.
Data: < a î Dë î > A0 61 0E 12 EE 01 00 00 80 44 EB 13 EE 01 00 00
{261} normal block at 0x000001EE120E5B60, 16 bytes long.
Data: < c î > 00 63 0E 12 EE 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001EE120E59D0, 16 bytes long.
Data: <Øb î > D8 62 0E 12 EE 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001EE120DF870, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x000001EE120E6060, 16 bytes long.
Data: <°b î > B0 62 0E 12 EE 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001EE120E62B0, 992 bytes long.
Data: <`` î pø î > 60 60 0E 12 EE 01 00 00 70 F8 0D 12 EE 01 00 00
{93} normal block at 0x000001EE120E0470, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x000001EE120DE7A0, 16 bytes long.
Data: < I î > 80 49 0E 12 EE 01 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x000001EE120E4980, 40 bytes long.
Data: < ç î p î > A0 E7 0D 12 EE 01 00 00 70 04 0E 12 EE 01 00 00
{70} normal block at 0x000001EE120DEA20, 16 bytes long.
Data: < ê  ÷ > 80 EA 16 A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001EE120DEC50, 16 bytes long.
Data: <@é  ÷ > 40 E9 16 A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001EE120DEED0, 16 bytes long.
Data: <øW  ÷ > F8 57 13 A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001EE120DECF0, 16 bytes long.
Data: <ØW  ÷ > D8 57 13 A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001EE120DF510, 16 bytes long.
Data: <P  ÷ > 50 04 13 A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001EE120DF290, 16 bytes long.
Data: <0  ÷ > 30 04 13 A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001EE120DEF70, 16 bytes long.
Data: <à  ÷ > E0 02 13 A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001EE120DE890, 16 bytes long.
Data: <  ÷ > 10 04 13 A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001EE120DF420, 16 bytes long.
Data: <p  ÷ > 70 04 13 A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001EE120DEBB0, 16 bytes long.
Data: < À  ÷ > 18 C0 11 A0 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra