Task 38687444
| Name | test_139-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND1305_0 |
| Workunit | 31628834 |
| Created | 28 Oct 2026, 7:51:04 UTC |
| Sent | 28 Oct 2026, 7:51:10 UTC |
| Report deadline | 2 Nov 2026, 7:51:10 UTC |
| Received | 28 Oct 2026, 8:18:22 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 627058 |
| Run time | 26 min 30 sec |
| CPU time | 24 min 53 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 14,795.30 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 762.77 MB |
| Peak swap size | 12.96 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
08:51:17 (18320): wrapper (7.9.26016): starting
08:51:17 (18320): 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
08:51:18 (18320): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:51:18 (18320): 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\66\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\66\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
09:17:00 (18320): C:/Windows/system32/cmd.exe exited; CPU time 1493.875000
09:17:00 (18320): 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: 29203281 bytes.
Dumping objects ->
{3835524} normal block at 0x000001748EE18030, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835513} normal block at 0x000001748EE17620, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835502} normal block at 0x000001748EE17AF0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835491} normal block at 0x000001748EE17BD0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835480} normal block at 0x000001748EE181F0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835449} normal block at 0x000001748D010900, 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) : {3835436} normal block at 0x000001748CFE2EB0, 8 bytes long.
Data: < L t > 00 00 4C 8D 74 01 00 00
{3833967} normal block at 0x000001748CFE22D0, 8 bytes long.
Data: <pë t > 70 EB 0B 8D 74 01 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001748CFDDD70, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001748CFD62D0, 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 0x000001748CFEB420, 16 bytes long.
Data: <¸·þŒt > B8 B7 FE 8C 74 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001748CFEACF0, 16 bytes long.
Data: < ·þŒt > 90 B7 FE 8C 74 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001748CFE4590, 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 0x000001748CFEAA70, 16 bytes long.
Data: <h·þŒt > 68 B7 FE 8C 74 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001748CFEA700, 16 bytes long.
Data: <@·þŒt > 40 B7 FE 8C 74 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001748CFEACA0, 16 bytes long.
Data: < ·þŒt > 18 B7 FE 8C 74 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001748CFEAA20, 16 bytes long.
Data: <ð¶þŒt > F0 B6 FE 8C 74 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001748CFE6090, 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 0x000001748CFEA750, 16 bytes long.
Data: <HïýŒt > 48 EF FD 8C 74 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001748CFE4FB0, 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 0x000001748CFEABB0, 16 bytes long.
Data: < ïýŒt > 20 EF FD 8C 74 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001748CFEB380, 16 bytes long.
Data: <øîýŒt > F8 EE FD 8C 74 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001748CFEA6B0, 16 bytes long.
Data: <ÐîýŒt > D0 EE FD 8C 74 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001748CFEA660, 16 bytes long.
Data: <¨îýŒt > A8 EE FD 8C 74 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001748CFEB060, 16 bytes long.
Data: < îýŒt > 80 EE FD 8C 74 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001748CFEAB10, 16 bytes long.
Data: <XîýŒt > 58 EE FD 8C 74 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001748CFE4890, 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 0x000001748CFEA9D0, 16 bytes long.
Data: <0îýŒt > 30 EE FD 8C 74 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001748CFDEE30, 320 bytes long.
Data: <ЩþŒt HþŒt > D0 A9 FE 8C 74 01 00 00 90 48 FE 8C 74 01 00 00
{279} normal block at 0x000001748CFEA7F0, 16 bytes long.
Data: <жþŒt > D0 B6 FE 8C 74 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001748CFEB010, 16 bytes long.
Data: <¨¶þŒt > A8 B6 FE 8C 74 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001748CFE4EF0, 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 0x000001748CFEB3D0, 16 bytes long.
Data: < ¶þŒt > 80 B6 FE 8C 74 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001748CFE4290, 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 0x000001748CFEA980, 16 bytes long.
Data: <ȵþŒt > C8 B5 FE 8C 74 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001748CFEA570, 16 bytes long.
Data: < µþŒt > A0 B5 FE 8C 74 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001748CFEAF20, 16 bytes long.
Data: <xµþŒt > 78 B5 FE 8C 74 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001748CFEA8E0, 16 bytes long.
Data: <PµþŒt > 50 B5 FE 8C 74 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001748CFEAED0, 16 bytes long.
Data: <(µþŒt > 28 B5 FE 8C 74 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001748CFEB240, 16 bytes long.
Data: < µþŒt > 00 B5 FE 8C 74 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001748CFEADE0, 16 bytes long.
Data: < gþŒt > 20 67 FE 8C 74 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001748CFE6720, 40 bytes long.
Data: <à­þŒt t > E0 AD FE 8C 74 01 00 00 00 09 01 8D 74 01 00 00
{265} normal block at 0x000001748CFEB330, 16 bytes long.
Data: <à´þŒt > E0 B4 FE 8C 74 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001748CFEA890, 16 bytes long.
Data: <¸´þŒt > B8 B4 FE 8C 74 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001748CFE4B30, 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 0x000001748CFEA610, 16 bytes long.
Data: < ´þŒt > 90 B4 FE 8C 74 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001748CFEB490, 992 bytes long.
Data: < ¦þŒt 0KþŒt > 10 A6 FE 8C 74 01 00 00 30 4B FE 8C 74 01 00 00
{97} normal block at 0x000001748CFE47D0, 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 0x000001748CFE2E10, 16 bytes long.
Data: <PbþŒt > 50 62 FE 8C 74 01 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x000001748CFE6250, 40 bytes long.
Data: < .þŒt ÐGþŒt > 10 2E FE 8C 74 01 00 00 D0 47 FE 8C 74 01 00 00
{74} normal block at 0x000001748CFE2DC0, 16 bytes long.
Data: < ê¼òö > 80 EA BC F2 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001748CFE2140, 16 bytes long.
Data: <@é¼òö > 40 E9 BC F2 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001748CFE2D20, 16 bytes long.
Data: <øW¹òö > F8 57 B9 F2 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001748CFE2CD0, 16 bytes long.
Data: <ØW¹òö > D8 57 B9 F2 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001748CFE2640, 16 bytes long.
Data: <P ¹òö > 50 04 B9 F2 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001748CFE2230, 16 bytes long.
Data: <0 ¹òö > 30 04 B9 F2 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001748CFE2780, 16 bytes long.
Data: <à ¹òö > E0 02 B9 F2 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001748CFE2A50, 16 bytes long.
Data: < ¹òö > 10 04 B9 F2 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001748CFE2A00, 16 bytes long.
Data: <p ¹òö > 70 04 B9 F2 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001748CFE2C80, 16 bytes long.
Data: < À·òö > 18 C0 B7 F2 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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