Task 38648242
| Name | test_76-GPUGRID_TEST_ATM_40STEP_20261023-0-40-RND8488_0 |
| Workunit | 31592951 |
| Created | 23 Oct 2026, 20:35:16 UTC |
| Sent | 23 Oct 2026, 23:10:03 UTC |
| Report deadline | 28 Oct 2026, 23:10:03 UTC |
| Received | 24 Oct 2026, 0:14:14 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 618046 |
| Run time | 14 min 19 sec |
| CPU time | 12 min 59 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 45,115.95 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 739.57 MB |
| Peak swap size | 11.49 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
01:59:50 (35768): wrapper (7.9.26016): starting
01:59:50 (35768): 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
01:59:51 (35768): Library/usr/bin/tar.exe exited; CPU time 0.015625
01:59:51 (35768): 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\1\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\1\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
02:13:22 (35768): C:/Windows/system32/cmd.exe exited; CPU time 779.281250
02:13:22 (35768): 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: 19136343 bytes.
Dumping objects ->
{3835276} normal block at 0x00000226F5B77470, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835265} normal block at 0x00000226F5B77710, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835254} normal block at 0x00000226F5B774E0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835243} normal block at 0x00000226F5B77780, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835232} normal block at 0x00000226F5B77400, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835201} normal block at 0x00000226F7927C40, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835190} normal block at 0x00000226F7940F60, 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) : {3835187} normal block at 0x00000226F5B6DA40, 8 bytes long.
Data: < ö& > 00 00 05 F6 26 02 00 00
{3834566} normal block at 0x00000226F7940930, 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 0x00000226F5B6D0E0, 8 bytes long.
Data: <ÐÛµõ& > D0 DB B5 F5 26 02 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000226F5B70E60, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000226F5B662D0, 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 0x00000226F5B783E0, 16 bytes long.
Data: <8 ·õ& > 38 90 B7 F5 26 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000226F5B782A0, 16 bytes long.
Data: < ·õ& > 10 90 B7 F5 26 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000226F5B6FB70, 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 0x00000226F5B78A70, 16 bytes long.
Data: <è ·õ& > E8 8F B7 F5 26 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000226F5B77E90, 16 bytes long.
Data: <À ·õ& > C0 8F B7 F5 26 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000226F5B77E40, 16 bytes long.
Data: < ·õ& > 98 8F B7 F5 26 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000226F5B78160, 16 bytes long.
Data: <p ·õ& > 70 8F B7 F5 26 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000226F5B77A90, 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 0x00000226F5B78480, 16 bytes long.
Data: <ø ¶õ& > F8 8D B6 F5 26 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000226F5B6F4B0, 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 0x00000226F5B784D0, 16 bytes long.
Data: <Ð ¶õ& > D0 8D B6 F5 26 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000226F5B78750, 16 bytes long.
Data: <¨ ¶õ& > A8 8D B6 F5 26 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000226F5B780C0, 16 bytes long.
Data: < ¶õ& > 80 8D B6 F5 26 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000226F5B78520, 16 bytes long.
Data: <X ¶õ& > 58 8D B6 F5 26 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000226F5B78840, 16 bytes long.
Data: <0 ¶õ& > 30 8D B6 F5 26 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000226F5B78660, 16 bytes long.
Data: < ¶õ& > 08 8D B6 F5 26 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000226F5B6F6F0, 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 0x00000226F5B78020, 16 bytes long.
Data: <àŒ¶õ& > E0 8C B6 F5 26 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000226F5B68CE0, 320 bytes long.
Data: < ·õ& ðö¶õ& > 20 80 B7 F5 26 02 00 00 F0 F6 B6 F5 26 02 00 00
{276} normal block at 0x00000226F5B77DF0, 16 bytes long.
Data: <P ·õ& > 50 8F B7 F5 26 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000226F5B787F0, 16 bytes long.
Data: <( ·õ& > 28 8F B7 F5 26 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000226F5B6F810, 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 0x00000226F5B786B0, 16 bytes long.
Data: < ·õ& > 00 8F B7 F5 26 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000226F5B6F1B0, 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 0x00000226F5B78AC0, 16 bytes long.
Data: <HŽ·õ& > 48 8E B7 F5 26 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000226F5B78B10, 16 bytes long.
Data: < Ž·õ& > 20 8E B7 F5 26 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000226F5B78200, 16 bytes long.
Data: <ø ·õ& > F8 8D B7 F5 26 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000226F5B78A20, 16 bytes long.
Data: <Ð ·õ& > D0 8D B7 F5 26 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000226F5B781B0, 16 bytes long.
Data: <¨ ·õ& > A8 8D B7 F5 26 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000226F5B78250, 16 bytes long.
Data: < ·õ& > 80 8D B7 F5 26 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000226F5B789D0, 16 bytes long.
Data: <0v·õ& > 30 76 B7 F5 26 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000226F5B77630, 40 bytes long.
Data: <Љ·õ& @|’÷& > D0 89 B7 F5 26 02 00 00 40 7C 92 F7 26 02 00 00
{262} normal block at 0x00000226F5B77FD0, 16 bytes long.
Data: <` ·õ& > 60 8D B7 F5 26 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000226F5B78430, 16 bytes long.
Data: <8 ·õ& > 38 8D B7 F5 26 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000226F5B6F690, 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 0x00000226F5B78700, 16 bytes long.
Data: < ·õ& > 10 8D B7 F5 26 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000226F5B78D10, 992 bytes long.
Data: < ‡·õ& ö¶õ& > 00 87 B7 F5 26 02 00 00 90 F6 B6 F5 26 02 00 00
{94} normal block at 0x00000226F5B6F990, 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 0x00000226F5B6DB80, 16 bytes long.
Data: < óµõ& > 20 F3 B5 F5 26 02 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x00000226F5B5F320, 40 bytes long.
Data: < Û¶õ& ù¶õ& > 80 DB B6 F5 26 02 00 00 90 F9 B6 F5 26 02 00 00
{71} normal block at 0x00000226F5B6D6D0, 16 bytes long.
Data: < ê:¡ö > 80 EA 3A A1 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000226F5B6DEA0, 16 bytes long.
Data: <@é:¡ö > 40 E9 3A A1 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000226F5B6DE00, 16 bytes long.
Data: <øW7¡ö > F8 57 37 A1 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000226F5B6DDB0, 16 bytes long.
Data: <ØW7¡ö > D8 57 37 A1 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000226F5B6CFF0, 16 bytes long.
Data: <P 7¡ö > 50 04 37 A1 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000226F5B6D130, 16 bytes long.
Data: <0 7¡ö > 30 04 37 A1 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000226F5B6DD60, 16 bytes long.
Data: <à 7¡ö > E0 02 37 A1 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000226F5B6D310, 16 bytes long.
Data: < 7¡ö > 10 04 37 A1 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000226F5B6D400, 16 bytes long.
Data: <p 7¡ö > 70 04 37 A1 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000226F5B6CFA0, 16 bytes long.
Data: < À5¡ö > 18 C0 35 A1 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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