Task 38670165
| Name | test_839-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND2081_0 |
| Workunit | 31612432 |
| Created | 25 Oct 2026, 16:40:06 UTC |
| Sent | 25 Oct 2026, 16:40:08 UTC |
| Report deadline | 30 Oct 2026, 16:40:08 UTC |
| Received | 25 Oct 2026, 17:13:37 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652843 |
| Run time | 25 min 33 sec |
| CPU time | 24 min 56 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 22,198.82 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 743.39 MB |
| Peak swap size | 12.92 GB |
| Peak disk usage | 3.48 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:48:25 (25356): wrapper (7.9.26016): starting
11:48:25 (25356): 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
11:48:26 (25356): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:48:26 (25356): 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
12:13:17 (25356): C:/Windows/system32/cmd.exe exited; CPU time 1496.531250
12:13:17 (25356): 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: 23263675 bytes.
Dumping objects ->
{3835550} normal block at 0x000001555BD95700, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835539} normal block at 0x000001555BD957E0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835528} normal block at 0x000001555BD95AF0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835517} normal block at 0x000001555BD95A10, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835506} normal block at 0x000001555BD959A0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835475} normal block at 0x000001555DACCCE0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835464} normal block at 0x000001555DB2E2E0, 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) : {3835461} normal block at 0x000001555BD8E880, 8 bytes long.
Data: < \U > 00 00 17 5C 55 01 00 00
{3834683} normal block at 0x000001555DB2E390, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833955} normal block at 0x000001555BD8E5B0, 8 bytes long.
Data: < S·]U > 90 53 B7 5D 55 01 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001555BD90350, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001555BD85810, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{293} normal block at 0x000001555BD947C0, 16 bytes long.
Data: <hTÙ[U > 68 54 D9 5B 55 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001555BD948B0, 16 bytes long.
Data: <@TÙ[U > 40 54 D9 5B 55 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001555BD8F0A0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{290} normal block at 0x000001555BD94E00, 16 bytes long.
Data: < TÙ[U > 18 54 D9 5B 55 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001555BD94B80, 16 bytes long.
Data: <ðSÙ[U > F0 53 D9 5B 55 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001555BD94770, 16 bytes long.
Data: <ÈSÙ[U > C8 53 D9 5B 55 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001555BD94720, 16 bytes long.
Data: < SÙ[U > A0 53 D9 5B 55 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001555BD95770, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{285} normal block at 0x000001555BD94EF0, 16 bytes long.
Data: <8†Ø[U > 38 86 D8 5B 55 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001555BD8F940, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{283} normal block at 0x000001555BD949A0, 16 bytes long.
Data: < †Ø[U > 10 86 D8 5B 55 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001555BD94A90, 16 bytes long.
Data: <è…Ø[U > E8 85 D8 5B 55 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001555BD94CC0, 16 bytes long.
Data: <À…Ø[U > C0 85 D8 5B 55 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001555BD94A40, 16 bytes long.
Data: < …Ø[U > 98 85 D8 5B 55 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001555BD944A0, 16 bytes long.
Data: <p…Ø[U > 70 85 D8 5B 55 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001555BD94590, 16 bytes long.
Data: <H…Ø[U > 48 85 D8 5B 55 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001555BD8F820, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{275} normal block at 0x000001555BD94540, 16 bytes long.
Data: < …Ø[U > 20 85 D8 5B 55 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001555BD88520, 320 bytes long.
Data: <@EÙ[U øØ[U > 40 45 D9 5B 55 01 00 00 20 F8 D8 5B 55 01 00 00
{273} normal block at 0x000001555BD94450, 16 bytes long.
Data: < SÙ[U > 80 53 D9 5B 55 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001555BD94860, 16 bytes long.
Data: <XSÙ[U > 58 53 D9 5B 55 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001555BD8EBC0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{270} normal block at 0x000001555BD94F90, 16 bytes long.
Data: <0SÙ[U > 30 53 D9 5B 55 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001555BD8F760, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{268} normal block at 0x000001555BD94EA0, 16 bytes long.
Data: <xRÙ[U > 78 52 D9 5B 55 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001555BD945E0, 16 bytes long.
Data: <PRÙ[U > 50 52 D9 5B 55 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001555BD944F0, 16 bytes long.
Data: <(RÙ[U > 28 52 D9 5B 55 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001555BD94C70, 16 bytes long.
Data: < RÙ[U > 00 52 D9 5B 55 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001555BD941D0, 16 bytes long.
Data: <ØQÙ[U > D8 51 D9 5B 55 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001555BD946D0, 16 bytes long.
Data: <°QÙ[U > B0 51 D9 5B 55 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001555BD94D10, 16 bytes long.
Data: < ã×[U > 20 E3 D7 5B 55 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001555BD7E320, 40 bytes long.
Data: < MÙ[U à̬]U > 10 4D D9 5B 55 01 00 00 E0 CC AC 5D 55 01 00 00
{259} normal block at 0x000001555BD94DB0, 16 bytes long.
Data: < QÙ[U > 90 51 D9 5B 55 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001555BD94400, 16 bytes long.
Data: <hQÙ[U > 68 51 D9 5B 55 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001555BD8F400, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{256} normal block at 0x000001555BD94E50, 16 bytes long.
Data: <@QÙ[U > 40 51 D9 5B 55 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001555BD95140, 992 bytes long.
Data: <PNÙ[U ôØ[U > 50 4E D9 5B 55 01 00 00 00 F4 D8 5B 55 01 00 00
{91} normal block at 0x000001555BD8F6A0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{90} normal block at 0x000001555BD8E1F0, 16 bytes long.
Data: <0Ü×[U > 30 DC D7 5B 55 01 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x000001555BD7DC30, 40 bytes long.
Data: <ðáØ[U  öØ[U > F0 E1 D8 5B 55 01 00 00 A0 F6 D8 5B 55 01 00 00
{68} normal block at 0x000001555BD8E330, 16 bytes long.
Data: < ê2µö > 80 EA 32 B5 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001555BD8E2E0, 16 bytes long.
Data: <@é2µö > 40 E9 32 B5 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001555BD8E790, 16 bytes long.
Data: <øW/µö > F8 57 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001555BD8E740, 16 bytes long.
Data: <ØW/µö > D8 57 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001555BD8E240, 16 bytes long.
Data: <P /µö > 50 04 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001555BD8EB00, 16 bytes long.
Data: <0 /µö > 30 04 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001555BD8E290, 16 bytes long.
Data: <à /µö > E0 02 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001555BD8E470, 16 bytes long.
Data: < /µö > 10 04 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001555BD8E970, 16 bytes long.
Data: <p /µö > 70 04 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001555BD8E100, 16 bytes long.
Data: < À-µö > 18 C0 2D B5 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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