Task 38680513
| Name | test_475-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND3184_0 |
| Workunit | 31622231 |
| Created | 27 Oct 2026, 0:14:17 UTC |
| Sent | 27 Oct 2026, 0:14:20 UTC |
| Report deadline | 1 Nov 2026, 0:14:20 UTC |
| Received | 27 Oct 2026, 1:00:38 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652945 |
| Run time | 23 min 23 sec |
| CPU time | 21 min 42 sec |
| Validate state | Initial |
| Credit | 0.00 |
| Device peak FLOPS | 17,844.26 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 758.19 MB |
| Peak swap size | 9.99 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:37:44 (37724): wrapper (7.9.26016): starting
01:37:44 (37724): 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
01:37:45 (37724): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:37:45 (37724): 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
02:00:15 (37724): C:/Windows/system32/cmd.exe exited; CPU time 1302.953125
02:00:15 (37724): 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: 26985887 bytes.
Dumping objects ->
{3835492} normal block at 0x00000227ED7C3A10, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835481} normal block at 0x00000227ED7C2DD0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835470} normal block at 0x00000227ED7C3930, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835459} normal block at 0x00000227ED7C2C10, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835448} normal block at 0x00000227EBB30300, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835417} normal block at 0x00000227ED80D560, 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) : {3835404} normal block at 0x00000227EBB36D80, 8 bytes long.
Data: < ‘ë' > 00 00 91 EB 27 02 00 00
{3833967} normal block at 0x00000227EBB372D0, 8 bytes long.
Data: <@òxí' > 40 F2 78 ED 27 02 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x00000227EBB2C620, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x00000227EBB262E0, 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 0x00000227EBB31B80, 16 bytes long.
Data: <è ³ë' > E8 A0 B3 EB 27 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000227EBB31AE0, 16 bytes long.
Data: <À ³ë' > C0 A0 B3 EB 27 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000227EBB7A630, 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 0x00000227EBB315E0, 16 bytes long.
Data: <  ³ë' > 98 A0 B3 EB 27 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000227EBB31A90, 16 bytes long.
Data: <p ³ë' > 70 A0 B3 EB 27 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000227EBB31590, 16 bytes long.
Data: <H ³ë' > 48 A0 B3 EB 27 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000227EBB31CC0, 16 bytes long.
Data: <  ³ë' > 20 A0 B3 EB 27 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000227EBB2FFF0, 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 0x00000227EBB31540, 16 bytes long.
Data: <(¯·ë' > 28 AF B7 EB 27 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000227EBB7A810, 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 0x00000227EBB319A0, 16 bytes long.
Data: < ¯·ë' > 00 AF B7 EB 27 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000227EBB31BD0, 16 bytes long.
Data: <Ø®·ë' > D8 AE B7 EB 27 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000227EBB31400, 16 bytes long.
Data: <°®·ë' > B0 AE B7 EB 27 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000227EBB31A40, 16 bytes long.
Data: < ®·ë' > 88 AE B7 EB 27 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000227EBB371E0, 16 bytes long.
Data: <`®·ë' > 60 AE B7 EB 27 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000227EBB36D30, 16 bytes long.
Data: <8®·ë' > 38 AE B7 EB 27 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000227EBB7A4B0, 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 0x00000227EBB36CE0, 16 bytes long.
Data: < ®·ë' > 10 AE B7 EB 27 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000227EBB7AE10, 320 bytes long.
Data: <àl³ë' °¤·ë' > E0 6C B3 EB 27 02 00 00 B0 A4 B7 EB 27 02 00 00
{279} normal block at 0x00000227EBB37190, 16 bytes long.
Data: <  ³ë' > 00 A0 B3 EB 27 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000227EBB36E20, 16 bytes long.
Data: <ØŸ³ë' > D8 9F B3 EB 27 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000227EBB7AD50, 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 0x00000227EBB36F10, 16 bytes long.
Data: <°Ÿ³ë' > B0 9F B3 EB 27 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000227EBB7ACF0, 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 0x00000227EBB36C90, 16 bytes long.
Data: <øž³ë' > F8 9E B3 EB 27 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000227EBB37230, 16 bytes long.
Data: <О³ë' > D0 9E B3 EB 27 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000227EBB37370, 16 bytes long.
Data: <¨ž³ë' > A8 9E B3 EB 27 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000227EBB37320, 16 bytes long.
Data: < ž³ë' > 80 9E B3 EB 27 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000227EBB36EC0, 16 bytes long.
Data: <Xž³ë' > 58 9E B3 EB 27 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000227EBB36DD0, 16 bytes long.
Data: <0ž³ë' > 30 9E B3 EB 27 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000227EBB37050, 16 bytes long.
Data: <0 ³ë' > 30 05 B3 EB 27 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000227EBB30530, 40 bytes long.
Data: <Pp³ë' `Õ í' > 50 70 B3 EB 27 02 00 00 60 D5 80 ED 27 02 00 00
{265} normal block at 0x00000227EBB373C0, 16 bytes long.
Data: < ž³ë' > 10 9E B3 EB 27 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000227EBB37000, 16 bytes long.
Data: <è ³ë' > E8 9D B3 EB 27 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000227EBB7A390, 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 0x00000227EBB36F60, 16 bytes long.
Data: <À ³ë' > C0 9D B3 EB 27 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000227EBB39DC0, 992 bytes long.
Data: <`o³ë' £·ë' > 60 6F B3 EB 27 02 00 00 90 A3 B7 EB 27 02 00 00
{97} normal block at 0x00000227EBB32130, 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 0x00000227EBB31090, 16 bytes long.
Data: <0þ²ë' > 30 FE B2 EB 27 02 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x00000227EBB2FE30, 40 bytes long.
Data: < ³ë' 0!³ë' > 90 10 B3 EB 27 02 00 00 30 21 B3 EB 27 02 00 00
{74} normal block at 0x00000227EBB31900, 16 bytes long.
Data: < êi(÷ > 80 EA 69 28 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x00000227EBB30FF0, 16 bytes long.
Data: <@éi(÷ > 40 E9 69 28 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000227EBB317C0, 16 bytes long.
Data: <øWf(÷ > F8 57 66 28 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000227EBB31680, 16 bytes long.
Data: <ØWf(÷ > D8 57 66 28 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000227EBB31720, 16 bytes long.
Data: <P f(÷ > 50 04 66 28 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000227EBB31360, 16 bytes long.
Data: <0 f(÷ > 30 04 66 28 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000227EBB310E0, 16 bytes long.
Data: <à f(÷ > E0 02 66 28 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000227EBB31310, 16 bytes long.
Data: < f(÷ > 10 04 66 28 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000227EBB318B0, 16 bytes long.
Data: <p f(÷ > 70 04 66 28 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000227EBB30FA0, 16 bytes long.
Data: < Àd(÷ > 18 C0 64 28 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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