Task 38674218
| Name | test_371-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND9677_0 |
| Workunit | 31616263 |
| Created | 26 Oct 2026, 4:38:26 UTC |
| Sent | 26 Oct 2026, 4:38:34 UTC |
| Report deadline | 31 Oct 2026, 4:38:34 UTC |
| Received | 26 Oct 2026, 5:13:59 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 649517 |
| Run time | 34 min 50 sec |
| CPU time | 32 min 23 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 | 711.33 MB |
| Peak swap size | 9.87 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
05:39:41 (51448): wrapper (7.9.26016): starting
05:39:41 (51448): 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
05:39:43 (51448): Library/usr/bin/tar.exe exited; CPU time 0.015625
05:39:43 (51448): 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
06:13:34 (51448): C:/Windows/system32/cmd.exe exited; CPU time 1943.531250
06:13:34 (51448): 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: 51420215 bytes.
Dumping objects ->
{3835230} normal block at 0x00000205EDCA6FF0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835219} normal block at 0x00000205EDCA6F80, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835208} normal block at 0x00000205EDCA6A40, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835197} normal block at 0x00000205EDCA73E0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835186} normal block at 0x00000205EDCA69D0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835155} normal block at 0x00000205EC00C3A0, 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) : {3835142} normal block at 0x00000205EBFE09C0, 8 bytes long.
Data: < ùë > 00 00 F9 EB 05 02 00 00
{3833989} normal block at 0x00000205EBFE0FB0, 8 bytes long.
Data: <@ëÂí > 40 EB C2 ED 05 02 00 00
..\zip\boinc_zip.cpp(122) : {326} normal block at 0x00000205EBFD9780, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{311} normal block at 0x00000205EBFD1270, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{310} normal block at 0x00000205EBFE8940, 16 bytes long.
Data: <Ø–þë > D8 96 FE EB 05 02 00 00 00 00 00 00 00 00 00 00
{309} normal block at 0x00000205EBFE8A80, 16 bytes long.
Data: <°–þë > B0 96 FE EB 05 02 00 00 00 00 00 00 00 00 00 00
{308} normal block at 0x00000205EBFE1A90, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{307} normal block at 0x00000205EBFE8990, 16 bytes long.
Data: < –þë > 88 96 FE EB 05 02 00 00 00 00 00 00 00 00 00 00
{306} normal block at 0x00000205EBFE88A0, 16 bytes long.
Data: <`–þë > 60 96 FE EB 05 02 00 00 00 00 00 00 00 00 00 00
{305} normal block at 0x00000205EBFE8670, 16 bytes long.
Data: <8–þë > 38 96 FE EB 05 02 00 00 00 00 00 00 00 00 00 00
{304} normal block at 0x00000205EBFE8580, 16 bytes long.
Data: < –þë > 10 96 FE EB 05 02 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x00000205EBFE6DC0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{302} normal block at 0x00000205EBFE87B0, 16 bytes long.
Data: < $ýë > 88 24 FD EB 05 02 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x00000205EBFE1A30, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{300} normal block at 0x00000205EBFE92A0, 16 bytes long.
Data: <`$ýë > 60 24 FD EB 05 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000205EBFE8EE0, 16 bytes long.
Data: <8$ýë > 38 24 FD EB 05 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000205EBFE9250, 16 bytes long.
Data: < $ýë > 10 24 FD EB 05 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000205EBFE84E0, 16 bytes long.
Data: <è#ýë > E8 23 FD EB 05 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000205EBFE8CB0, 16 bytes long.
Data: <À#ýë > C0 23 FD EB 05 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000205EBFE8490, 16 bytes long.
Data: < #ýë > 98 23 FD EB 05 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000205EBFE1910, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{292} normal block at 0x00000205EBFE9200, 16 bytes long.
Data: <p#ýë > 70 23 FD EB 05 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000205EBFD2370, 320 bytes long.
Data: < ’þë þë > 00 92 FE EB 05 02 00 00 10 19 FE EB 05 02 00 00
{290} normal block at 0x00000205EBFE88F0, 16 bytes long.
Data: <ð•þë > F0 95 FE EB 05 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000205EBFE8DA0, 16 bytes long.
Data: <È•þë > C8 95 FE EB 05 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000205EBFE1610, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{287} normal block at 0x00000205EBFE8F80, 16 bytes long.
Data: < •þë > A0 95 FE EB 05 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000205EBFE23F0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{285} normal block at 0x00000205EBFE8AD0, 16 bytes long.
Data: <è”þë > E8 94 FE EB 05 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000205EBFE8850, 16 bytes long.
Data: <À”þë > C0 94 FE EB 05 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000205EBFE89E0, 16 bytes long.
Data: < ”þë > 98 94 FE EB 05 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000205EBFE8760, 16 bytes long.
Data: <p”þë > 70 94 FE EB 05 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000205EBFE8710, 16 bytes long.
Data: <H”þë > 48 94 FE EB 05 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000205EBFE8A30, 16 bytes long.
Data: < ”þë > 20 94 FE EB 05 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000205EBFE9160, 16 bytes long.
Data: <àlþë > E0 6C FE EB 05 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000205EBFE6CE0, 40 bytes long.
Data: <`‘þë  Ã ì > 60 91 FE EB 05 02 00 00 A0 C3 00 EC 05 02 00 00
{276} normal block at 0x00000205EBFE8530, 16 bytes long.
Data: < ”þë > 00 94 FE EB 05 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000205EBFE9110, 16 bytes long.
Data: <Ø“þë > D8 93 FE EB 05 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000205EBFE1850, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{273} normal block at 0x00000205EBFE8B20, 16 bytes long.
Data: <°“þë > B0 93 FE EB 05 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000205EBFE93B0, 992 bytes long.
Data: < ‹þë P þë > 20 8B FE EB 05 02 00 00 50 18 FE EB 05 02 00 00
{108} normal block at 0x00000205EBFE16D0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{107} normal block at 0x00000205EBFE1410, 16 bytes long.
Data: <Ðiþë > D0 69 FE EB 05 02 00 00 00 00 00 00 00 00 00 00
{106} normal block at 0x00000205EBFE69D0, 40 bytes long.
Data: < þë Ð þë > 10 14 FE EB 05 02 00 00 D0 16 FE EB 05 02 00 00
{85} normal block at 0x00000205EBFE0C40, 16 bytes long.
Data: < ê qö > 80 EA 1D 71 F6 7F 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x00000205EBFE0E70, 16 bytes long.
Data: <@é qö > 40 E9 1D 71 F6 7F 00 00 00 00 00 00 00 00 00 00
{83} normal block at 0x00000205EBFE08D0, 16 bytes long.
Data: <øW qö > F8 57 1A 71 F6 7F 00 00 00 00 00 00 00 00 00 00
{82} normal block at 0x00000205EBFE1230, 16 bytes long.
Data: <ØW qö > D8 57 1A 71 F6 7F 00 00 00 00 00 00 00 00 00 00
{81} normal block at 0x00000205EBFE0650, 16 bytes long.
Data: <P qö > 50 04 1A 71 F6 7F 00 00 00 00 00 00 00 00 00 00
{80} normal block at 0x00000205EBFE0A10, 16 bytes long.
Data: <0 qö > 30 04 1A 71 F6 7F 00 00 00 00 00 00 00 00 00 00
{79} normal block at 0x00000205EBFE1140, 16 bytes long.
Data: <à qö > E0 02 1A 71 F6 7F 00 00 00 00 00 00 00 00 00 00
{78} normal block at 0x00000205EBFE0600, 16 bytes long.
Data: < qö > 10 04 1A 71 F6 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x00000205EBFE0E20, 16 bytes long.
Data: <p qö > 70 04 1A 71 F6 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x00000205EBFE0920, 16 bytes long.
Data: < À qö > 18 C0 18 71 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra