Task 38661601
| Name | test_232-GPUGRID_TEST_ATM_40STEP_20261023-8-40-RND5183_1 |
| Workunit | 31603863 |
| Created | 24 Oct 2026, 16:01:03 UTC |
| Sent | 24 Oct 2026, 16:18:46 UTC |
| Report deadline | 29 Oct 2026, 16:18:46 UTC |
| Received | 24 Oct 2026, 21:30:28 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 629206 |
| Run time | 35 min 57 sec |
| CPU time | 34 min 42 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 12,848.68 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 706.75 MB |
| Peak swap size | 5.35 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
17:57:48 (45612): wrapper (7.9.26016): starting
17:57:48 (45612): 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
17:57:49 (45612): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:57:49 (45612): 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
18:33:41 (45612): C:/Windows/system32/cmd.exe exited; CPU time 2082.906250
18:33:41 (45612): 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: 45444335 bytes.
Dumping objects ->
{3835612} normal block at 0x000001C9B165A280, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835601} normal block at 0x000001C9B1659D40, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835590} normal block at 0x000001C9B1659E90, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835579} normal block at 0x000001C9AFA35F90, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835568} normal block at 0x000001C9AFA35F20, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835537} normal block at 0x000001C9B15BDEE0, 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) : {3835524} normal block at 0x000001C9AFA304A0, 8 bytes long.
Data: < Û¯É > 00 00 DB AF C9 01 00 00
{3833967} normal block at 0x000001C9AFA2FF50, 8 bytes long.
Data: < Œe±É > 00 8C 65 B1 C9 01 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001C9AFA31E30, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001C9AFA1F920, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{299} normal block at 0x000001C9AFA36490, 16 bytes long.
Data: <Hu£¯É > 48 75 A3 AF C9 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001C9AFA36E90, 16 bytes long.
Data: < u£¯É > 20 75 A3 AF C9 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001C9AFA30D00, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{296} normal block at 0x000001C9AFA36FD0, 16 bytes long.
Data: <øt£¯É > F8 74 A3 AF C9 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001C9AFA36D00, 16 bytes long.
Data: <Ðt£¯É > D0 74 A3 AF C9 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001C9AFA36CB0, 16 bytes long.
Data: <¨t£¯É > A8 74 A3 AF C9 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001C9AFA363F0, 16 bytes long.
Data: < t£¯É > 80 74 A3 AF C9 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001C9AFA35D60, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{291} normal block at 0x000001C9AFA368A0, 16 bytes long.
Data: < ô¢¯É > 08 F4 A2 AF C9 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001C9AFA31480, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{289} normal block at 0x000001C9AFA36620, 16 bytes long.
Data: <àó¢¯É > E0 F3 A2 AF C9 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001C9AFA36C60, 16 bytes long.
Data: <¸ó¢¯É > B8 F3 A2 AF C9 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001C9AFA36C10, 16 bytes long.
Data: < ó¢¯É > 90 F3 A2 AF C9 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001C9AFA36E40, 16 bytes long.
Data: <hó¢¯É > 68 F3 A2 AF C9 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001C9AFA36EE0, 16 bytes long.
Data: <@ó¢¯É > 40 F3 A2 AF C9 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001C9AFA36F80, 16 bytes long.
Data: < ó¢¯É > 18 F3 A2 AF C9 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001C9AFA31000, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{281} normal block at 0x000001C9AFA36BC0, 16 bytes long.
Data: <ðò¢¯É > F0 F2 A2 AF C9 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001C9AFA2F2F0, 320 bytes long.
Data: <Àk£¯É £¯É > C0 6B A3 AF C9 01 00 00 00 10 A3 AF C9 01 00 00
{279} normal block at 0x000001C9AFA37110, 16 bytes long.
Data: <`t£¯É > 60 74 A3 AF C9 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001C9AFA36AD0, 16 bytes long.
Data: <8t£¯É > 38 74 A3 AF C9 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001C9AFA31360, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{276} normal block at 0x000001C9AFA36440, 16 bytes long.
Data: < t£¯É > 10 74 A3 AF C9 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001C9AFA30CA0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{274} normal block at 0x000001C9AFA36B70, 16 bytes long.
Data: <Xs£¯É > 58 73 A3 AF C9 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001C9AFA36F30, 16 bytes long.
Data: <0s£¯É > 30 73 A3 AF C9 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001C9AFA36D50, 16 bytes long.
Data: < s£¯É > 08 73 A3 AF C9 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001C9AFA369E0, 16 bytes long.
Data: <àr£¯É > E0 72 A3 AF C9 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001C9AFA36990, 16 bytes long.
Data: <¸r£¯É > B8 72 A3 AF C9 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001C9AFA36940, 16 bytes long.
Data: < r£¯É > 90 72 A3 AF C9 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001C9AFA365D0, 16 bytes long.
Data: <°^£¯É > B0 5E A3 AF C9 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001C9AFA35EB0, 40 bytes long.
Data: <Ðe£¯É àÞ[±É > D0 65 A3 AF C9 01 00 00 E0 DE 5B B1 C9 01 00 00
{265} normal block at 0x000001C9AFA36760, 16 bytes long.
Data: <pr£¯É > 70 72 A3 AF C9 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001C9AFA36300, 16 bytes long.
Data: <Hr£¯É > 48 72 A3 AF C9 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001C9AFA30C40, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{262} normal block at 0x000001C9AFA36A80, 16 bytes long.
Data: < r£¯É > 20 72 A3 AF C9 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001C9AFA37220, 992 bytes long.
Data: < j£¯É @ £¯É > 80 6A A3 AF C9 01 00 00 40 0C A3 AF C9 01 00 00
{97} normal block at 0x000001C9AFA31420, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{96} normal block at 0x000001C9AFA2FEB0, 16 bytes long.
Data: <à`£¯É > E0 60 A3 AF C9 01 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x000001C9AFA360E0, 40 bytes long.
Data: <°þ¢¯É £¯É > B0 FE A2 AF C9 01 00 00 20 14 A3 AF C9 01 00 00
{74} normal block at 0x000001C9AFA2FCD0, 16 bytes long.
Data: < ê¤%ö > 80 EA A4 25 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001C9AFA2FA00, 16 bytes long.
Data: <@é¤%ö > 40 E9 A4 25 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001C9AFA2FB90, 16 bytes long.
Data: <øW¡%ö > F8 57 A1 25 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001C9AFA2F7D0, 16 bytes long.
Data: <ØW¡%ö > D8 57 A1 25 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001C9AFA2F9B0, 16 bytes long.
Data: <P ¡%ö > 50 04 A1 25 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001C9AFA2F960, 16 bytes long.
Data: <0 ¡%ö > 30 04 A1 25 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001C9AFA30310, 16 bytes long.
Data: <à ¡%ö > E0 02 A1 25 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001C9AFA2FAF0, 16 bytes long.
Data: < ¡%ö > 10 04 A1 25 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001C9AFA2F870, 16 bytes long.
Data: <p ¡%ö > 70 04 A1 25 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001C9AFA2FF00, 16 bytes long.
Data: < ÀŸ%ö > 18 C0 9F 25 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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