Task 38678076
| Name | test_719-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND6674_0 |
| Workunit | 31619918 |
| Created | 26 Oct 2026, 16:18:49 UTC |
| Sent | 26 Oct 2026, 16:18:53 UTC |
| Report deadline | 31 Oct 2026, 16:18:53 UTC |
| Received | 26 Oct 2026, 16:54:42 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 625666 |
| Run time | 33 min 37 sec |
| CPU time | 30 min 56 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 16,200.74 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 696.01 MB |
| Peak swap size | 6.88 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:21:47 (26972): wrapper (7.9.26016): starting
11:21:47 (26972): 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
11:22:00 (26972): Library/usr/bin/tar.exe exited; CPU time 0.031250
11:22:00 (26972): 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 'G:\BOINC\DATA\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 'G:\BOINC\DATA\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
11:53:30 (26972): C:/Windows/system32/cmd.exe exited; CPU time 1856.000000
11:53:30 (26972): called boinc_finish(0)
0 bytes in 0 Free Blocks.
346 bytes in 8 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: 35659716 bytes.
Dumping objects ->
{3835291} normal block at 0x00000238CAE21090, 48 bytes long.
Data: <PATH=G:\BOINC\DA> 50 41 54 48 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41
{3835280} normal block at 0x00000238CAF65CB0, 32 bytes long.
Data: <HOME=G:\BOINC\DA> 48 4F 4D 45 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41
{3835269} normal block at 0x00000238CAF659B0, 32 bytes long.
Data: <TMP=G:\BOINC\DAT> 54 4D 50 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 54
{3835258} normal block at 0x00000238CAF64AB0, 32 bytes long.
Data: <TEMP=G:\BOINC\DA> 54 45 4D 50 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41
{3835247} normal block at 0x00000238CAF65A10, 32 bytes long.
Data: <TMPDIR=G:\BOINC\> 54 4D 50 44 49 52 3D 47 3A 5C 42 4F 49 4E 43 5C
{3835216} normal block at 0x00000238CAE20B50, 48 bytes long.
Data: <PATH=G:\BOINC\DA> 50 41 54 48 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41
{3835205} normal block at 0x00000238CAECD330, 85 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
..\api\boinc_api.cpp(309) : {3835202} normal block at 0x00000238C93B6E10, 8 bytes long.
Data: < +É8 > 00 00 2B C9 38 02 00 00
{3834574} normal block at 0x00000238CAECD5B0, 85 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833965} normal block at 0x00000238C93B6AF0, 8 bytes long.
Data: <°ròÊ8 > B0 72 F2 CA 38 02 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x00000238C93C0AD0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x00000238C93A60D0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{298} normal block at 0x00000238C93C2380, 16 bytes long.
Data: <Ø?<É8 > D8 3F 3C C9 38 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000238C93C21A0, 16 bytes long.
Data: <°?<É8 > B0 3F 3C C9 38 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000238C93BBDC0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{295} normal block at 0x00000238C93C1AC0, 16 bytes long.
Data: < ?<É8 > 88 3F 3C C9 38 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000238C93C1BB0, 16 bytes long.
Data: <`?<É8 > 60 3F 3C C9 38 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000238C93C1F70, 16 bytes long.
Data: <8?<É8 > 38 3F 3C C9 38 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000238C93C1A70, 16 bytes long.
Data: < ?<É8 > 10 3F 3C C9 38 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000238C93BD660, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{290} normal block at 0x00000238C93C2150, 16 bytes long.
Data: <h`:É8 > 68 60 3A C9 38 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000238C93BBB20, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{288} normal block at 0x00000238C93C19D0, 16 bytes long.
Data: <@`:É8 > 40 60 3A C9 38 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000238C93C2290, 16 bytes long.
Data: < `:É8 > 18 60 3A C9 38 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000238C93C2100, 16 bytes long.
Data: <ð_:É8 > F0 5F 3A C9 38 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000238C93C1E80, 16 bytes long.
Data: <È_:É8 > C8 5F 3A C9 38 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000238C93C1C50, 16 bytes long.
Data: < _:É8 > A0 5F 3A C9 38 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000238C93C20B0, 16 bytes long.
Data: <x_:É8 > 78 5F 3A C9 38 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000238C93BC780, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{280} normal block at 0x00000238C93C1980, 16 bytes long.
Data: <P_:É8 > 50 5F 3A C9 38 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000238C93A5F50, 320 bytes long.
Data: < <É8 Ç;É8 > 80 19 3C C9 38 02 00 00 80 C7 3B C9 38 02 00 00
{278} normal block at 0x00000238C93C1930, 16 bytes long.
Data: <ð><É8 > F0 3E 3C C9 38 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000238C93C2740, 16 bytes long.
Data: <È><É8 > C8 3E 3C C9 38 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000238C93BC660, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{275} normal block at 0x00000238C93C1B60, 16 bytes long.
Data: < ><É8 > A0 3E 3C C9 38 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000238C93BC540, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{273} normal block at 0x00000238C93C2650, 16 bytes long.
Data: <è=<É8 > E8 3D 3C C9 38 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000238C93C27E0, 16 bytes long.
Data: <À=<É8 > C0 3D 3C C9 38 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000238C93C2600, 16 bytes long.
Data: < =<É8 > 98 3D 3C C9 38 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000238C93C18E0, 16 bytes long.
Data: <p=<É8 > 70 3D 3C C9 38 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000238C93C25B0, 16 bytes long.
Data: <H=<É8 > 48 3D 3C C9 38 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000238C93C1C00, 16 bytes long.
Data: < =<É8 > 20 3D 3C C9 38 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000238C93C1E30, 16 bytes long.
Data: <ÀÚ;É8 > C0 DA 3B C9 38 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000238C93BDAC0, 40 bytes long.
Data: <0 <É8 P âÊ8 > 30 1E 3C C9 38 02 00 00 50 0B E2 CA 38 02 00 00
{264} normal block at 0x00000238C93C2060, 16 bytes long.
Data: < =<É8 > 00 3D 3C C9 38 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000238C93C2830, 16 bytes long.
Data: <Ø<<É8 > D8 3C 3C C9 38 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000238C93BC000, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{261} normal block at 0x00000238C93C1DE0, 16 bytes long.
Data: <°<<É8 > B0 3C 3C C9 38 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000238C93C3CB0, 992 bytes long.
Data: <à <É8 À;É8 > E0 1D 3C C9 38 02 00 00 00 C0 3B C9 38 02 00 00
{96} normal block at 0x00000238C93BBEE0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{95} normal block at 0x00000238C93B7680, 16 bytes long.
Data: < Ø;É8 > 90 D8 3B C9 38 02 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x00000238C93BD890, 40 bytes long.
Data: < v;É8 à¾;É8 > 80 76 3B C9 38 02 00 00 E0 BE 3B C9 38 02 00 00
{73} normal block at 0x00000238C93B6B90, 16 bytes long.
Data: < êÒ–ö > 80 EA D2 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000238C93B6DC0, 16 bytes long.
Data: <@éÒ–ö > 40 E9 D2 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000238C93B7450, 16 bytes long.
Data: <øWÏ–ö > F8 57 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000238C93B73B0, 16 bytes long.
Data: <ØWÏ–ö > D8 57 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000238C93B79A0, 16 bytes long.
Data: <P Ï–ö > 50 04 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000238C93B7950, 16 bytes long.
Data: <0 Ï–ö > 30 04 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000238C93B7220, 16 bytes long.
Data: <à Ï–ö > E0 02 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000238C93B7040, 16 bytes long.
Data: < Ï–ö > 10 04 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000238C93B75E0, 16 bytes long.
Data: <p Ï–ö > 70 04 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000238C93B77C0, 16 bytes long.
Data: < ÀÍ–ö > 18 C0 CD 96 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra