Task 38665285
| Name | test_559-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND7430_0 |
| Workunit | 31608393 |
| Created | 25 Oct 2026, 0:58:31 UTC |
| Sent | 25 Oct 2026, 1:02:44 UTC |
| Report deadline | 30 Oct 2026, 1:02:44 UTC |
| Received | 25 Oct 2026, 23:16:37 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 626877 |
| Run time | 3 hours 32 min |
| CPU time | 3 hours 22 min 18 sec |
| Validate state | Valid |
| Credit | 600,000.00 |
| Device peak FLOPS | 35,915.31 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 708.17 MB |
| Peak swap size | 6.93 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
15:44:20 (18428): wrapper (7.9.26016): starting
15:44:20 (18428): 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
15:44:22 (18428): Library/usr/bin/tar.exe exited; CPU time 0.015625
15:44:22 (18428): 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\13\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\13\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
19:15:58 (18428): C:/Windows/system32/cmd.exe exited; CPU time 12138.046875
19:15:58 (18428): 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: 263843647 bytes.
Dumping objects ->
{3835213} normal block at 0x00000249EC8B51B0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835202} normal block at 0x00000249EC8B5530, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835191} normal block at 0x00000249EC8B54C0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835180} normal block at 0x00000249EC8B5920, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835169} normal block at 0x00000249EC8B5A00, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835138} normal block at 0x00000249EC7DC880, 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) : {3835125} normal block at 0x00000249EAAFE0D0, 8 bytes long.
Data: < ֐I > 00 00 F7 EA 49 02 00 00
{3833963} normal block at 0x00000249EAAFD9A0, 8 bytes long.
Data: < ägìI > 80 E4 67 EC 49 02 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000249EAB00CA0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000249EAAF66B0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x00000249EAB06060, 16 bytes long.
Data: <Hi°êI > 48 69 B0 EA 49 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000249EAB05CA0, 16 bytes long.
Data: < i°êI > 20 69 B0 EA 49 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000249EAAFF690, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x00000249EAB06010, 16 bytes long.
Data: <øh°êI > F8 68 B0 EA 49 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000249EAB05C50, 16 bytes long.
Data: <Ðh°êI > D0 68 B0 EA 49 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000249EAB05F20, 16 bytes long.
Data: <¨h°êI > A8 68 B0 EA 49 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000249EAB061A0, 16 bytes long.
Data: < h°êI > 80 68 B0 EA 49 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000249EAB04030, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x00000249EAB05BB0, 16 bytes long.
Data: < ¶®êI > 18 B6 AE EA 49 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000249EAAFF7B0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x00000249EAB05ED0, 16 bytes long.
Data: <ðµ®êI > F0 B5 AE EA 49 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000249EAB05E80, 16 bytes long.
Data: <ȵ®êI > C8 B5 AE EA 49 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000249EAB05A70, 16 bytes long.
Data: < µ®êI > A0 B5 AE EA 49 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000249EAB05980, 16 bytes long.
Data: <xµ®êI > 78 B5 AE EA 49 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000249EAB058E0, 16 bytes long.
Data: <Pµ®êI > 50 B5 AE EA 49 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000249EAB05FC0, 16 bytes long.
Data: <(µ®êI > 28 B5 AE EA 49 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000249EAAFF2D0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x00000249EAB05D90, 16 bytes long.
Data: < µ®êI > 00 B5 AE EA 49 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000249EAAEB500, 320 bytes long.
Data: < ]°êI Ðò¯êI > 90 5D B0 EA 49 02 00 00 D0 F2 AF EA 49 02 00 00
{277} normal block at 0x00000249EAB05700, 16 bytes long.
Data: <`h°êI > 60 68 B0 EA 49 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000249EAB064C0, 16 bytes long.
Data: <8h°êI > 38 68 B0 EA 49 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000249EAAFF870, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x00000249EAB05840, 16 bytes long.
Data: < h°êI > 10 68 B0 EA 49 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000249EAAFEC70, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x00000249EAB05B60, 16 bytes long.
Data: <Xg°êI > 58 67 B0 EA 49 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000249EAB056B0, 16 bytes long.
Data: <0g°êI > 30 67 B0 EA 49 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000249EAB05E30, 16 bytes long.
Data: < g°êI > 08 67 B0 EA 49 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000249EAB05AC0, 16 bytes long.
Data: <àf°êI > E0 66 B0 EA 49 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000249EAB05890, 16 bytes long.
Data: <¸f°êI > B8 66 B0 EA 49 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000249EAB06330, 16 bytes long.
Data: < f°êI > 90 66 B0 EA 49 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000249EAB05C00, 16 bytes long.
Data: <Ð;°êI > D0 3B B0 EA 49 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000249EAB03BD0, 40 bytes long.
Data: < \°êI È}ìI > 00 5C B0 EA 49 02 00 00 80 C8 7D EC 49 02 00 00
{263} normal block at 0x00000249EAB05B10, 16 bytes long.
Data: <pf°êI > 70 66 B0 EA 49 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000249EAB06380, 16 bytes long.
Data: <Hf°êI > 48 66 B0 EA 49 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000249EAAFF330, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x00000249EAB057F0, 16 bytes long.
Data: < f°êI > 20 66 B0 EA 49 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000249EAB06620, 992 bytes long.
Data: <ðW°êI 0ó¯êI > F0 57 B0 EA 49 02 00 00 30 F3 AF EA 49 02 00 00
{95} normal block at 0x00000249EAAFEB50, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x00000249EAAFD900, 16 bytes long.
Data: <P?°êI > 50 3F B0 EA 49 02 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x00000249EAB03F50, 40 bytes long.
Data: < Ù¯êI Pë¯êI > 00 D9 AF EA 49 02 00 00 50 EB AF EA 49 02 00 00
{72} normal block at 0x00000249EAAFDC70, 16 bytes long.
Data: < ê |÷ > 80 EA 1E 7C F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000249EAAFD540, 16 bytes long.
Data: <@é |÷ > 40 E9 1E 7C F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000249EAAFD4F0, 16 bytes long.
Data: <øW |÷ > F8 57 1B 7C F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000249EAAFE080, 16 bytes long.
Data: <ØW |÷ > D8 57 1B 7C F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000249EAAFD860, 16 bytes long.
Data: <P |÷ > 50 04 1B 7C F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000249EAAFD770, 16 bytes long.
Data: <0 |÷ > 30 04 1B 7C F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000249EAAFDB80, 16 bytes long.
Data: <à |÷ > E0 02 1B 7C F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000249EAAFD400, 16 bytes long.
Data: < |÷ > 10 04 1B 7C F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000249EAAFD8B0, 16 bytes long.
Data: <p |÷ > 70 04 1B 7C F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000249EAAFDEF0, 16 bytes long.
Data: < À |÷ > 18 C0 19 7C F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra