Task 38678253
| Name | test_915-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND7595_0 |
| Workunit | 31620083 |
| Created | 26 Oct 2026, 16:51:10 UTC |
| Sent | 26 Oct 2026, 16:51:13 UTC |
| Report deadline | 31 Oct 2026, 16:51:13 UTC |
| Received | 26 Oct 2026, 18:40:25 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 649517 |
| Run time | 35 min 55 sec |
| CPU time | 32 min 39 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 12,956.20 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 720.38 MB |
| Peak swap size | 9.88 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
19:05:19 (28372): wrapper (7.9.26016): starting
19:05:19 (28372): 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
19:05:20 (28372): Library/usr/bin/tar.exe exited; CPU time 0.015625
19:05:20 (28372): 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
19:39:58 (28372): C:/Windows/system32/cmd.exe exited; CPU time 1959.093750
19:39:58 (28372): 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: 55115111 bytes.
Dumping objects ->
{3835228} normal block at 0x00000192BB3BE1A0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835217} normal block at 0x00000192BB3BE440, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835206} normal block at 0x00000192BB3BE7C0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835195} normal block at 0x00000192BB3BEAD0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835184} normal block at 0x00000192BB3BE600, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835153} normal block at 0x00000192BB3BB790, 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) : {3835140} normal block at 0x00000192B96208A0, 8 bytes long.
Data: < Z¹’ > 00 00 5A B9 92 01 00 00
{3833987} normal block at 0x00000192B9620FD0, 8 bytes long.
Data: < x?»’ > A0 78 3F BB 92 01 00 00
..\zip\boinc_zip.cpp(122) : {325} normal block at 0x00000192B96183A0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{310} normal block at 0x00000192B96194B0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{309} normal block at 0x00000192B96289B0, 16 bytes long.
Data: <H—b¹’ > 48 97 62 B9 92 01 00 00 00 00 00 00 00 00 00 00
{308} normal block at 0x00000192B9628CD0, 16 bytes long.
Data: < —b¹’ > 20 97 62 B9 92 01 00 00 00 00 00 00 00 00 00 00
{307} normal block at 0x00000192B9621F00, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{306} normal block at 0x00000192B96288C0, 16 bytes long.
Data: <ø–b¹’ > F8 96 62 B9 92 01 00 00 00 00 00 00 00 00 00 00
{305} normal block at 0x00000192B9628820, 16 bytes long.
Data: <Жb¹’ > D0 96 62 B9 92 01 00 00 00 00 00 00 00 00 00 00
{304} normal block at 0x00000192B9628780, 16 bytes long.
Data: <¨–b¹’ > A8 96 62 B9 92 01 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x00000192B96291D0, 16 bytes long.
Data: < –b¹’ > 80 96 62 B9 92 01 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x00000192B9626730, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{301} normal block at 0x00000192B96292C0, 16 bytes long.
Data: <Ø a¹’ > D8 14 61 B9 92 01 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x00000192B9621E40, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{299} normal block at 0x00000192B9628AF0, 16 bytes long.
Data: <° a¹’ > B0 14 61 B9 92 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000192B96290E0, 16 bytes long.
Data: < a¹’ > 88 14 61 B9 92 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000192B9628C80, 16 bytes long.
Data: <` a¹’ > 60 14 61 B9 92 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000192B9628730, 16 bytes long.
Data: <8 a¹’ > 38 14 61 B9 92 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000192B96287D0, 16 bytes long.
Data: < a¹’ > 10 14 61 B9 92 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000192B9628690, 16 bytes long.
Data: <è a¹’ > E8 13 61 B9 92 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000192B9622140, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{291} normal block at 0x00000192B9628A50, 16 bytes long.
Data: <À a¹’ > C0 13 61 B9 92 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000192B96113C0, 320 bytes long.
Data: <PŠb¹’ @!b¹’ > 50 8A 62 B9 92 01 00 00 40 21 62 B9 92 01 00 00
{289} normal block at 0x00000192B9628960, 16 bytes long.
Data: <`–b¹’ > 60 96 62 B9 92 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000192B9628B40, 16 bytes long.
Data: <8–b¹’ > 38 96 62 B9 92 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000192B9622380, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{286} normal block at 0x00000192B9629040, 16 bytes long.
Data: < –b¹’ > 10 96 62 B9 92 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000192B96222C0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{284} normal block at 0x00000192B9628640, 16 bytes long.
Data: <X•b¹’ > 58 95 62 B9 92 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000192B96285F0, 16 bytes long.
Data: <0•b¹’ > 30 95 62 B9 92 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000192B9629180, 16 bytes long.
Data: < •b¹’ > 08 95 62 B9 92 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000192B96286E0, 16 bytes long.
Data: <à”b¹’ > E0 94 62 B9 92 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000192B96285A0, 16 bytes long.
Data: <¸”b¹’ > B8 94 62 B9 92 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000192B9628500, 16 bytes long.
Data: < ”b¹’ > 90 94 62 B9 92 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000192B9628910, 16 bytes long.
Data: <Àfb¹’ > C0 66 62 B9 92 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000192B96266C0, 40 bytes long.
Data: < ‰b¹’ ·;»’ > 10 89 62 B9 92 01 00 00 90 B7 3B BB 92 01 00 00
{275} normal block at 0x00000192B96293B0, 16 bytes long.
Data: <p”b¹’ > 70 94 62 B9 92 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000192B9628550, 16 bytes long.
Data: <H”b¹’ > 48 94 62 B9 92 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000192B9621BA0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{272} normal block at 0x00000192B96284B0, 16 bytes long.
Data: < ”b¹’ > 20 94 62 B9 92 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000192B9629420, 992 bytes long.
Data: <°„b¹’   b¹’ > B0 84 62 B9 92 01 00 00 A0 1B 62 B9 92 01 00 00
{107} normal block at 0x00000192B9622260, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{106} normal block at 0x00000192B9620DA0, 16 bytes long.
Data: <Pfb¹’ > 50 66 62 B9 92 01 00 00 00 00 00 00 00 00 00 00
{105} normal block at 0x00000192B9626650, 40 bytes long.
Data: <  b¹’ `"b¹’ > A0 0D 62 B9 92 01 00 00 60 22 62 B9 92 01 00 00
{84} normal block at 0x00000192B9620710, 16 bytes long.
Data: < êLs÷ > 80 EA 4C 73 F7 7F 00 00 00 00 00 00 00 00 00 00
{83} normal block at 0x00000192B96212F0, 16 bytes long.
Data: <@éLs÷ > 40 E9 4C 73 F7 7F 00 00 00 00 00 00 00 00 00 00
{82} normal block at 0x00000192B9620850, 16 bytes long.
Data: <øWIs÷ > F8 57 49 73 F7 7F 00 00 00 00 00 00 00 00 00 00
{81} normal block at 0x00000192B9620670, 16 bytes long.
Data: <ØWIs÷ > D8 57 49 73 F7 7F 00 00 00 00 00 00 00 00 00 00
{80} normal block at 0x00000192B9620620, 16 bytes long.
Data: <P Is÷ > 50 04 49 73 F7 7F 00 00 00 00 00 00 00 00 00 00
{79} normal block at 0x00000192B9620800, 16 bytes long.
Data: <0 Is÷ > 30 04 49 73 F7 7F 00 00 00 00 00 00 00 00 00 00
{78} normal block at 0x00000192B9620A80, 16 bytes long.
Data: <à Is÷ > E0 02 49 73 F7 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x00000192B96206C0, 16 bytes long.
Data: < Is÷ > 10 04 49 73 F7 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x00000192B9620580, 16 bytes long.
Data: <p Is÷ > 70 04 49 73 F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x00000192B96205D0, 16 bytes long.
Data: < ÀGs÷ > 18 C0 47 73 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra