Task 38680570
| Name | test_185-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND9325_0 |
| Workunit | 31622286 |
| Created | 27 Oct 2026, 0:26:51 UTC |
| Sent | 27 Oct 2026, 0:27:07 UTC |
| Report deadline | 1 Nov 2026, 0:27:07 UTC |
| Received | 27 Oct 2026, 7:57:06 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654840 |
| Run time | 1 hours 57 min 22 sec |
| CPU time | 1 hours 35 min 53 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 6,029.85 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 739.77 MB |
| Peak swap size | 8.39 GB |
| Peak disk usage | 4.19 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:02:55 (89880): wrapper (7.9.26016): starting
01:02:55 (89880): 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
01:02:58 (89880): Library/usr/bin/tar.exe exited; CPU time 0.015625
01:02:58 (89880): 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\0\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\0\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
02:56:41 (89880): C:/Windows/system32/cmd.exe exited; CPU time 5753.765625
02:56:41 (89880): 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: 252623163 bytes.
Dumping objects ->
{3835485} normal block at 0x0000023119BD41E0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835474} normal block at 0x0000023119BD4100, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835463} normal block at 0x0000023119BD4090, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835452} normal block at 0x0000023119BD4020, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835441} normal block at 0x0000023119BD3ED0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835410} normal block at 0x000002311BFED360, 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) : {3835397} normal block at 0x0000023119BC9D00, 8 bytes long.
Data: < ç 1 > 00 00 E7 19 31 02 00 00
{3833949} normal block at 0x0000023119BC9BC0, 8 bytes long.
Data: <PÉ¿ 1 > 50 C9 BF 19 31 02 00 00
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x0000023119BC5400, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000023119BCE730, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{290} normal block at 0x0000023119BD50C0, 16 bytes long.
Data: <(W½ 1 > 28 57 BD 19 31 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000023119BD4EE0, 16 bytes long.
Data: < W½ 1 > 00 57 BD 19 31 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000023119BCFCE0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{287} normal block at 0x0000023119BD4440, 16 bytes long.
Data: <ØV½ 1 > D8 56 BD 19 31 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000023119BD47B0, 16 bytes long.
Data: <°V½ 1 > B0 56 BD 19 31 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000023119BD4D00, 16 bytes long.
Data: < V½ 1 > 88 56 BD 19 31 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000023119BD5390, 16 bytes long.
Data: <`V½ 1 > 60 56 BD 19 31 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000023119BD3F40, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{282} normal block at 0x0000023119BD4DF0, 16 bytes long.
Data: <xô» 1 > 78 F4 BB 19 31 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000023119BCFB60, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{280} normal block at 0x0000023119BD4C60, 16 bytes long.
Data: <Pô» 1 > 50 F4 BB 19 31 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000023119BD4FD0, 16 bytes long.
Data: <(ô» 1 > 28 F4 BB 19 31 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000023119BD5340, 16 bytes long.
Data: < ô» 1 > 00 F4 BB 19 31 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000023119BD4A30, 16 bytes long.
Data: <Øó» 1 > D8 F3 BB 19 31 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000023119BD4A80, 16 bytes long.
Data: <°ó» 1 > B0 F3 BB 19 31 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000023119BD52F0, 16 bytes long.
Data: < ó» 1 > 88 F3 BB 19 31 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000023119BCF9E0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{272} normal block at 0x0000023119BD4C10, 16 bytes long.
Data: <`ó» 1 > 60 F3 BB 19 31 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000023119BBF360, 320 bytes long.
Data: < L½ 1 àù¼ 1 > 10 4C BD 19 31 02 00 00 E0 F9 BC 19 31 02 00 00
{270} normal block at 0x0000023119BD49E0, 16 bytes long.
Data: <@V½ 1 > 40 56 BD 19 31 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000023119BD4D50, 16 bytes long.
Data: < V½ 1 > 18 56 BD 19 31 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000023119BCF980, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{267} normal block at 0x0000023119BD4760, 16 bytes long.
Data: <ðU½ 1 > F0 55 BD 19 31 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000023119BCFC80, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{265} normal block at 0x0000023119BD52A0, 16 bytes long.
Data: <8U½ 1 > 38 55 BD 19 31 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000023119BD5160, 16 bytes long.
Data: < U½ 1 > 10 55 BD 19 31 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000023119BD4710, 16 bytes long.
Data: <èT½ 1 > E8 54 BD 19 31 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000023119BD48A0, 16 bytes long.
Data: <ÀT½ 1 > C0 54 BD 19 31 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000023119BD4990, 16 bytes long.
Data: < T½ 1 > 98 54 BD 19 31 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000023119BD4940, 16 bytes long.
Data: <pT½ 1 > 70 54 BD 19 31 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000023119BD4BC0, 16 bytes long.
Data: <`>½ 1 > 60 3E BD 19 31 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000023119BD3E60, 40 bytes long.
Data: <ÀK½ 1 `Óþ 1 > C0 4B BD 19 31 02 00 00 60 D3 FE 1B 31 02 00 00
{256} normal block at 0x0000023119BD4670, 16 bytes long.
Data: <PT½ 1 > 50 54 BD 19 31 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000023119BD48F0, 16 bytes long.
Data: <(T½ 1 > 28 54 BD 19 31 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x0000023119BCFC20, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{253} normal block at 0x0000023119BD51B0, 16 bytes long.
Data: < T½ 1 > 00 54 BD 19 31 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x0000023119BD5400, 992 bytes long.
Data: <°Q½ 1 ü¼ 1 > B0 51 BD 19 31 02 00 00 20 FC BC 19 31 02 00 00
{88} normal block at 0x0000023119BCFAA0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{87} normal block at 0x0000023119BC9530, 16 bytes long.
Data: < Ø» 1 > 80 D8 BB 19 31 02 00 00 00 00 00 00 00 00 00 00
{86} normal block at 0x0000023119BBD880, 40 bytes long.
Data: <0•¼ 1  ú¼ 1 > 30 95 BC 19 31 02 00 00 A0 FA BC 19 31 02 00 00
{65} normal block at 0x0000023119BC9490, 16 bytes long.
Data: < êU ö > 80 EA 55 99 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000023119BC9440, 16 bytes long.
Data: <@éU ö > 40 E9 55 99 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000023119BC93F0, 16 bytes long.
Data: <øWR ö > F8 57 52 99 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000023119BC9940, 16 bytes long.
Data: <ØWR ö > D8 57 52 99 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000023119BC9DA0, 16 bytes long.
Data: <P R ö > 50 04 52 99 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000023119BC9B20, 16 bytes long.
Data: <0 R ö > 30 04 52 99 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000023119BC9670, 16 bytes long.
Data: <à R ö > E0 02 52 99 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000023119BC98F0, 16 bytes long.
Data: < R ö > 10 04 52 99 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000023119BC9850, 16 bytes long.
Data: <p R ö > 70 04 52 99 F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x0000023119BC98A0, 16 bytes long.
Data: < ÀP ö > 18 C0 50 99 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra