Task 38667490
| Name | test_682-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND5687_0 |
| Workunit | 31610112 |
| Created | 25 Oct 2026, 8:09:25 UTC |
| Sent | 25 Oct 2026, 8:09:40 UTC |
| Report deadline | 30 Oct 2026, 8:09:40 UTC |
| Received | 28 Oct 2026, 3:34:15 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652183 |
| Run time | 23 min 54 sec |
| CPU time | 20 min 31 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 29,325.87 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 714.38 MB |
| Peak swap size | 11.44 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:23:16 (4716): wrapper (7.9.26016): starting
03:23:16 (4716): 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
03:23:17 (4716): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:23:17 (4716): 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\14\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\14\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.
21:12:21 (21564): wrapper (7.9.26016): starting
21:12:21 (21564): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\14\tmp already exists.
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
21:34:22 (21564): C:/Windows/system32/cmd.exe exited; CPU time 1187.437500
21:34:22 (21564): 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: 28005821 bytes.
Dumping objects ->
{1604} normal block at 0x000001AE81DE68A0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1593} normal block at 0x000001AE81DE66E0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1582} normal block at 0x000001AE81DE6A60, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1571} normal block at 0x000001AE81DE6910, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1560} normal block at 0x000001AE81DE6AD0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1529} normal block at 0x000001AE81DCEF50, 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) : {1516} normal block at 0x000001AE81DE7EF0, 8 bytes long.
Data: < > 00 00 D9 81 AE 01 00 00
{306} normal block at 0x000001AE81DE8350, 8 bytes long.
Data: < > 10 84 DE 81 AE 01 00 00
{297} normal block at 0x000001AE81DD67A0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x000001AE81DE7590, 16 bytes long.
Data: < s > 08 73 DE 81 AE 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001AE81DE7540, 16 bytes long.
Data: < r > E0 72 DE 81 AE 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001AE81DDFBB0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x000001AE81DE7770, 16 bytes long.
Data: < r > B8 72 DE 81 AE 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001AE81DE83A0, 16 bytes long.
Data: < r > 90 72 DE 81 AE 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001AE81DE7FE0, 16 bytes long.
Data: <hr > 68 72 DE 81 AE 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001AE81DE7BD0, 16 bytes long.
Data: <@r > 40 72 DE 81 AE 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001AE81DE6830, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x000001AE81DE7A90, 16 bytes long.
Data: < > F8 8F DD 81 AE 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001AE81DDF9D0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x000001AE81DE7720, 16 bytes long.
Data: < > D0 8F DD 81 AE 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001AE81DE8210, 16 bytes long.
Data: < > A8 8F DD 81 AE 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001AE81DE7630, 16 bytes long.
Data: < > 80 8F DD 81 AE 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001AE81DE7F90, 16 bytes long.
Data: <X > 58 8F DD 81 AE 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001AE81DE8030, 16 bytes long.
Data: <0 > 30 8F DD 81 AE 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001AE81DE74F0, 16 bytes long.
Data: < > 08 8F DD 81 AE 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001AE81DDFCD0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x000001AE81DE7A40, 16 bytes long.
Data: < > E0 8E DD 81 AE 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001AE81DD8EE0, 320 bytes long.
Data: <@z > 40 7A DE 81 AE 01 00 00 D0 FC DD 81 AE 01 00 00
{276} normal block at 0x000001AE81DE76D0, 16 bytes long.
Data: < r > 20 72 DE 81 AE 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001AE81DE7CC0, 16 bytes long.
Data: < q > F8 71 DE 81 AE 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001AE81DE0330, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x000001AE81DE75E0, 16 bytes long.
Data: < q > D0 71 DE 81 AE 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001AE81DE0390, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x000001AE81DE7B80, 16 bytes long.
Data: < q > 18 71 DE 81 AE 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001AE81DE7C20, 16 bytes long.
Data: < p > F0 70 DE 81 AE 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001AE81DE7680, 16 bytes long.
Data: < p > C8 70 DE 81 AE 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001AE81DE7B30, 16 bytes long.
Data: < p > A0 70 DE 81 AE 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001AE81DE7AE0, 16 bytes long.
Data: <xp > 78 70 DE 81 AE 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001AE81DDEBC0, 16 bytes long.
Data: <Pp > 50 70 DE 81 AE 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001AE81DDE9E0, 16 bytes long.
Data: <pf > 70 66 DE 81 AE 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001AE81DE6670, 40 bytes long.
Data: < P > E0 E9 DD 81 AE 01 00 00 50 EF DC 81 AE 01 00 00
{262} normal block at 0x000001AE81DDE990, 16 bytes long.
Data: <0p > 30 70 DE 81 AE 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001AE81DDE800, 16 bytes long.
Data: < p > 08 70 DE 81 AE 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001AE81DDFAF0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x000001AE81DDE6C0, 16 bytes long.
Data: < o > E0 6F DE 81 AE 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001AE81DE6FE0, 992 bytes long.
Data: < > C0 E6 DD 81 AE 01 00 00 F0 FA DD 81 AE 01 00 00
{94} normal block at 0x000001AE81DDFD90, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x000001AE81DDEC60, 16 bytes long.
Data: < > E0 EE DC 81 AE 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000001AE81DCEEE0, 40 bytes long.
Data: <` > 60 EC DD 81 AE 01 00 00 90 FD DD 81 AE 01 00 00
{71} normal block at 0x000001AE81DDF520, 16 bytes long.
Data: < 's > 80 EA 27 73 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001AE81DDE850, 16 bytes long.
Data: <@ 's > 40 E9 27 73 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001AE81DDEC10, 16 bytes long.
Data: < W$s > F8 57 24 73 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001AE81DDE8F0, 16 bytes long.
Data: < W$s > D8 57 24 73 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001AE81DDE710, 16 bytes long.
Data: <P $s > 50 04 24 73 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001AE81DDF0C0, 16 bytes long.
Data: <0 $s > 30 04 24 73 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001AE81DDEAD0, 16 bytes long.
Data: < $s > E0 02 24 73 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001AE81DDF2A0, 16 bytes long.
Data: < $s > 10 04 24 73 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001AE81DDE760, 16 bytes long.
Data: <p $s > 70 04 24 73 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001AE81DDE940, 16 bytes long.
Data: < "s > 18 C0 22 73 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra