Task 38683449
| Name | test_461-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND1783_0 |
| Workunit | 31625005 |
| Created | 27 Oct 2026, 11:51:44 UTC |
| Sent | 27 Oct 2026, 11:51:46 UTC |
| Report deadline | 1 Nov 2026, 11:51:46 UTC |
| Received | 27 Oct 2026, 15:15:11 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 574909 |
| Run time | 2 hours 44 min 26 sec |
| CPU time | 2 hours 42 min 3 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 2,906.63 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 667.36 MB |
| Peak swap size | 5.21 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:31:47 (23476): wrapper (7.9.26016): starting
07:31:47 (23476): 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
07:31:49 (23476): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:31:49 (23476): 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
10:14:45 (23476): C:/Windows/system32/cmd.exe exited; CPU time 9723.984375
10:14:45 (23476): 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: 159106697 bytes.
Dumping objects ->
{3835202} normal block at 0x000001CAB0E41210, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835191} normal block at 0x000001CAB0DF4EF0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835180} normal block at 0x000001CAB0DF4D30, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835169} normal block at 0x000001CAB0DF5270, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835158} normal block at 0x000001CAB0DF53C0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835127} normal block at 0x000001CAB2A65210, 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) : {3835114} normal block at 0x000001CAB0DED870, 8 bytes long.
Data: < :±Ê > 00 00 3A B1 CA 01 00 00
{3833965} normal block at 0x000001CAB0DEDE60, 8 bytes long.
Data: < K¯²Ê > 80 4B AF B2 CA 01 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001CAB0DF1F00, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001CAB0DE6290, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{298} normal block at 0x000001CAB0DF6550, 16 bytes long.
Data: <¸kß°Ê > B8 6B DF B0 CA 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001CAB0DF67D0, 16 bytes long.
Data: < kß°Ê > 90 6B DF B0 CA 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001CAB0DEF2D0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{295} normal block at 0x000001CAB0DF5E70, 16 bytes long.
Data: <hkß°Ê > 68 6B DF B0 CA 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001CAB0DF6500, 16 bytes long.
Data: <@kß°Ê > 40 6B DF B0 CA 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001CAB0DF64B0, 16 bytes long.
Data: < kß°Ê > 18 6B DF B0 CA 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001CAB0DF5E20, 16 bytes long.
Data: <ðjß°Ê > F0 6A DF B0 CA 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001CAB0DF5040, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{290} normal block at 0x000001CAB0DF6410, 16 bytes long.
Data: <øõÝ°Ê > F8 F5 DD B0 CA 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001CAB0DEF870, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{288} normal block at 0x000001CAB0DF5920, 16 bytes long.
Data: <ÐõÝ°Ê > D0 F5 DD B0 CA 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001CAB0DF6140, 16 bytes long.
Data: <¨õÝ°Ê > A8 F5 DD B0 CA 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001CAB0DF60F0, 16 bytes long.
Data: < õÝ°Ê > 80 F5 DD B0 CA 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001CAB0DF6690, 16 bytes long.
Data: <XõÝ°Ê > 58 F5 DD B0 CA 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001CAB0DF6320, 16 bytes long.
Data: <0õÝ°Ê > 30 F5 DD B0 CA 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001CAB0DF59C0, 16 bytes long.
Data: < õÝ°Ê > 08 F5 DD B0 CA 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001CAB0DEFE10, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{280} normal block at 0x000001CAB0DF6640, 16 bytes long.
Data: <àôÝ°Ê > E0 F4 DD B0 CA 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001CAB0DDF4E0, 320 bytes long.
Data: <@fß°Ê þÞ°Ê > 40 66 DF B0 CA 01 00 00 10 FE DE B0 CA 01 00 00
{278} normal block at 0x000001CAB0DF5B50, 16 bytes long.
Data: <Ðjß°Ê > D0 6A DF B0 CA 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001CAB0DF6460, 16 bytes long.
Data: <¨jß°Ê > A8 6A DF B0 CA 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001CAB0DEFB10, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{275} normal block at 0x000001CAB0DF5EC0, 16 bytes long.
Data: < jß°Ê > 80 6A DF B0 CA 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001CAB0DEF630, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{273} normal block at 0x000001CAB0DF6780, 16 bytes long.
Data: <Èiß°Ê > C8 69 DF B0 CA 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001CAB0DF5DD0, 16 bytes long.
Data: < iß°Ê > A0 69 DF B0 CA 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001CAB0DF62D0, 16 bytes long.
Data: <xiß°Ê > 78 69 DF B0 CA 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001CAB0DF63C0, 16 bytes long.
Data: <Piß°Ê > 50 69 DF B0 CA 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001CAB0DF5D30, 16 bytes long.
Data: <(iß°Ê > 28 69 DF B0 CA 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001CAB0DF6000, 16 bytes long.
Data: < iß°Ê > 00 69 DF B0 CA 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001CAB0DF60A0, 16 bytes long.
Data: <ÀLß°Ê > C0 4C DF B0 CA 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001CAB0DF4CC0, 40 bytes long.
Data: < `ß°Ê R¦²Ê > A0 60 DF B0 CA 01 00 00 10 52 A6 B2 CA 01 00 00
{264} normal block at 0x000001CAB0DF5D80, 16 bytes long.
Data: <àhß°Ê > E0 68 DF B0 CA 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001CAB0DF6050, 16 bytes long.
Data: <¸hß°Ê > B8 68 DF B0 CA 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001CAB0DEF930, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{261} normal block at 0x000001CAB0DF65F0, 16 bytes long.
Data: < hß°Ê > 90 68 DF B0 CA 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001CAB0DF6890, 992 bytes long.
Data: <ðeß°Ê 0ùÞ°Ê > F0 65 DF B0 CA 01 00 00 30 F9 DE B0 CA 01 00 00
{96} normal block at 0x000001CAB0DEFE70, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{95} normal block at 0x000001CAB0DEE1D0, 16 bytes long.
Data: < íÞ°Ê > 00 ED DE B0 CA 01 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x000001CAB0DEED00, 40 bytes long.
Data: <ÐáÞ°Ê pþÞ°Ê > D0 E1 DE B0 CA 01 00 00 70 FE DE B0 CA 01 00 00
{73} normal block at 0x000001CAB0DED960, 16 bytes long.
Data: < ê øö > 80 EA 15 F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001CAB0DEDB40, 16 bytes long.
Data: <@é øö > 40 E9 15 F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001CAB0DEDDC0, 16 bytes long.
Data: <øW øö > F8 57 12 F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001CAB0DEDD70, 16 bytes long.
Data: <ØW øö > D8 57 12 F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001CAB0DED820, 16 bytes long.
Data: <P øö > 50 04 12 F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001CAB0DEDAA0, 16 bytes long.
Data: <0 øö > 30 04 12 F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001CAB0DEDFA0, 16 bytes long.
Data: <à øö > E0 02 12 F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001CAB0DEDB90, 16 bytes long.
Data: < øö > 10 04 12 F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001CAB0DEDF00, 16 bytes long.
Data: <p øö > 70 04 12 F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001CAB0DEDA00, 16 bytes long.
Data: < À øö > 18 C0 10 F8 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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