Task 38680820
| Name | test_25-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND7845_0 |
| Workunit | 31622520 |
| Created | 27 Oct 2026, 1:40:53 UTC |
| Sent | 27 Oct 2026, 1:40:58 UTC |
| Report deadline | 1 Nov 2026, 1:40:58 UTC |
| Received | 27 Oct 2026, 2:03:11 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 629717 |
| Run time | 21 min 39 sec |
| CPU time | 19 min 55 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 28,388.91 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 765.58 MB |
| Peak swap size | 13.05 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
20:42:15 (19532): wrapper (7.9.26016): starting
20:42:15 (19532): 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
20:42:16 (19532): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:42:16 (19532): 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\31\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\31\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
21:02:47 (19532): C:/Windows/system32/cmd.exe exited; CPU time 1195.265625
21:02:47 (19532): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 34764875 bytes.
Dumping objects ->
{3835311} normal block at 0x000001C1E7E6B680, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835300} normal block at 0x000001C1E7E6ADC0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835289} normal block at 0x000001C1E7E6B920, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835278} normal block at 0x000001C1E7E6AC70, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835267} normal block at 0x000001C1E7E6B290, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835236} normal block at 0x000001C1E9BACD50, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835225} normal block at 0x000001C1E9C0F3F0, 102 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) : {3835222} normal block at 0x000001C1E7E3EE40, 8 bytes long.
Data: < ÞçÁ > 00 00 DE E7 C1 01 00 00
{3834575} normal block at 0x000001C1E9C0E790, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833961} normal block at 0x000001C1E7E3E530, 8 bytes long.
Data: <°HÅéÁ > B0 48 C5 E9 C1 01 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001C1E7E36C40, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001C1E7E37B30, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x000001C1E7E466C0, 16 bytes long.
Data: <XXäçÁ > 58 58 E4 E7 C1 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001C1E7E45F90, 16 bytes long.
Data: <0XäçÁ > 30 58 E4 E7 C1 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001C1E7E40470, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x000001C1E7E45AE0, 16 bytes long.
Data: < XäçÁ > 08 58 E4 E7 C1 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001C1E7E46080, 16 bytes long.
Data: <àWäçÁ > E0 57 E4 E7 C1 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001C1E7E463F0, 16 bytes long.
Data: <¸WäçÁ > B8 57 E4 E7 C1 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001C1E7E46800, 16 bytes long.
Data: < WäçÁ > 90 57 E4 E7 C1 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001C1E7E43FC0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x000001C1E7E46490, 16 bytes long.
Data: < £ãçÁ > 88 A3 E3 E7 C1 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001C1E7E3FDB0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x000001C1E7E468F0, 16 bytes long.
Data: <`£ãçÁ > 60 A3 E3 E7 C1 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001C1E7E45A90, 16 bytes long.
Data: <8£ãçÁ > 38 A3 E3 E7 C1 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001C1E7E46300, 16 bytes long.
Data: < £ãçÁ > 10 A3 E3 E7 C1 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001C1E7E462B0, 16 bytes long.
Data: <è¢ãçÁ > E8 A2 E3 E7 C1 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001C1E7E46170, 16 bytes long.
Data: <À¢ãçÁ > C0 A2 E3 E7 C1 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001C1E7E45F40, 16 bytes long.
Data: < ¢ãçÁ > 98 A2 E3 E7 C1 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001C1E7E40170, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x000001C1E7E46670, 16 bytes long.
Data: <p¢ãçÁ > 70 A2 E3 E7 C1 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001C1E7E3A270, 320 bytes long.
Data: <pfäçÁ p äçÁ > 70 66 E4 E7 C1 01 00 00 70 01 E4 E7 C1 01 00 00
{276} normal block at 0x000001C1E7E46710, 16 bytes long.
Data: <pWäçÁ > 70 57 E4 E7 C1 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001C1E7E46580, 16 bytes long.
Data: <HWäçÁ > 48 57 E4 E7 C1 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001C1E7E40650, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x000001C1E7E45B30, 16 bytes long.
Data: < WäçÁ > 20 57 E4 E7 C1 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001C1E7E406B0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x000001C1E7E45C20, 16 bytes long.
Data: <hVäçÁ > 68 56 E4 E7 C1 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001C1E7E45EF0, 16 bytes long.
Data: <@VäçÁ > 40 56 E4 E7 C1 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001C1E7E46530, 16 bytes long.
Data: < VäçÁ > 18 56 E4 E7 C1 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001C1E7E45EA0, 16 bytes long.
Data: <ðUäçÁ > F0 55 E4 E7 C1 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001C1E7E45BD0, 16 bytes long.
Data: <ÈUäçÁ > C8 55 E4 E7 C1 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001C1E7E3E670, 16 bytes long.
Data: < UäçÁ > A0 55 E4 E7 C1 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001C1E7E3E620, 16 bytes long.
Data: < =äçÁ > 90 3D E4 E7 C1 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001C1E7E43D90, 40 bytes long.
Data: < æãçÁ PͺéÁ > 20 E6 E3 E7 C1 01 00 00 50 CD BA E9 C1 01 00 00
{262} normal block at 0x000001C1E7E3F250, 16 bytes long.
Data: < UäçÁ > 80 55 E4 E7 C1 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001C1E7E3F340, 16 bytes long.
Data: <XUäçÁ > 58 55 E4 E7 C1 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001C1E7E40BF0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x000001C1E7E3EF80, 16 bytes long.
Data: <0UäçÁ > 30 55 E4 E7 C1 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001C1E7E45530, 992 bytes long.
Data: < ïãçÁ ð äçÁ > 80 EF E3 E7 C1 01 00 00 F0 0B E4 E7 C1 01 00 00
{94} normal block at 0x000001C1E7E40890, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x000001C1E7E3E4E0, 16 bytes long.
Data: <0@äçÁ > 30 40 E4 E7 C1 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000001C1E7E44030, 40 bytes long.
Data: <àäãçÁ äçÁ > E0 E4 E3 E7 C1 01 00 00 90 08 E4 E7 C1 01 00 00
{71} normal block at 0x000001C1E7E3F1B0, 16 bytes long.
Data: < êS‰ö > 80 EA 53 89 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001C1E7E3EFD0, 16 bytes long.
Data: <@éS‰ö > 40 E9 53 89 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001C1E7E3EB20, 16 bytes long.
Data: <øWP‰ö > F8 57 50 89 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001C1E7E3EAD0, 16 bytes long.
Data: <ØWP‰ö > D8 57 50 89 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001C1E7E3EA30, 16 bytes long.
Data: <P P‰ö > 50 04 50 89 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001C1E7E3F0C0, 16 bytes long.
Data: <0 P‰ö > 30 04 50 89 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001C1E7E3E990, 16 bytes long.
Data: <à P‰ö > E0 02 50 89 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001C1E7E3E850, 16 bytes long.
Data: < P‰ö > 10 04 50 89 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001C1E7E3EA80, 16 bytes long.
Data: <p P‰ö > 70 04 50 89 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001C1E7E3E760, 16 bytes long.
Data: < ÀN‰ö > 18 C0 4E 89 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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