Task 38688251
| Name | test_133-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND5151_0 |
| Workunit | 31629611 |
| Created | 28 Oct 2026, 12:41:04 UTC |
| Sent | 28 Oct 2026, 12:41:06 UTC |
| Report deadline | 2 Nov 2026, 12:41:06 UTC |
| Received | 28 Oct 2026, 13:15:05 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 631341 |
| Run time | 32 min 58 sec |
| CPU time | 31 min 34 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 29,149.23 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 735.59 MB |
| Peak swap size | 14.46 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:43:22 (4996): wrapper (7.9.26016): starting
13:43:22 (4996): 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
13:43:24 (4996): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:43:24 (4996): 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_GPUGRID\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_GPUGRID\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
14:14:43 (4996): C:/Windows/system32/cmd.exe exited; CPU time 1894.796875
14:14:43 (4996): called boinc_finish(0)
0 bytes in 0 Free Blocks.
632 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: 28172829 bytes.
Dumping objects ->
{3835309} normal block at 0x0000018AAF8870C0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835298} normal block at 0x0000018AAD995540, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835287} normal block at 0x0000018AAD995620, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835276} normal block at 0x0000018AAD9955B0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835265} normal block at 0x0000018AAD995310, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835234} normal block at 0x0000018AAF887740, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835223} normal block at 0x0000018AAF8E6850, 180 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) : {3835220} normal block at 0x0000018AAD98E390, 8 bytes long.
Data: < e¯Š > 00 00 65 AF 8A 01 00 00
{3834594} normal block at 0x0000018AAF8E6760, 180 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 0x0000018AAD98E5C0, 8 bytes long.
Data: <@ª›­Š > 40 AA 9B AD 8A 01 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000018AAD9923F0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000018AAD987100, 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 0x0000018AAD9965E0, 16 bytes long.
Data: <ho ­Š > 68 6F 99 AD 8A 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000018AAD996860, 16 bytes long.
Data: <@o ­Š > 40 6F 99 AD 8A 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000018AAD98FB80, 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 0x0000018AAD996B80, 16 bytes long.
Data: < o ­Š > 18 6F 99 AD 8A 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000018AAD996590, 16 bytes long.
Data: <ðn ­Š > F0 6E 99 AD 8A 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000018AAD996810, 16 bytes long.
Data: <Èn ­Š > C8 6E 99 AD 8A 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000018AAD9967C0, 16 bytes long.
Data: < n ­Š > A0 6E 99 AD 8A 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000018AAD995460, 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 0x0000018AAD996040, 16 bytes long.
Data: <(÷—­Š > 28 F7 97 AD 8A 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000018AAD98F5E0, 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 0x0000018AAD995FA0, 16 bytes long.
Data: < ÷—­Š > 00 F7 97 AD 8A 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000018AAD996220, 16 bytes long.
Data: <Øö—­Š > D8 F6 97 AD 8A 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000018AAD9963B0, 16 bytes long.
Data: <°ö—­Š > B0 F6 97 AD 8A 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000018AAD996720, 16 bytes long.
Data: < ö—­Š > 88 F6 97 AD 8A 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000018AAD996AE0, 16 bytes long.
Data: <`ö—­Š > 60 F6 97 AD 8A 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000018AAD996360, 16 bytes long.
Data: <8ö—­Š > 38 F6 97 AD 8A 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000018AAD98FE20, 32 bytes long.
Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55
{278} normal block at 0x0000018AAD996540, 16 bytes long.
Data: < ö—­Š > 10 F6 97 AD 8A 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000018AAD97F610, 320 bytes long.
Data: <@e ­Š þ ­Š > 40 65 99 AD 8A 01 00 00 20 FE 98 AD 8A 01 00 00
{276} normal block at 0x0000018AAD995F00, 16 bytes long.
Data: < n ­Š > 80 6E 99 AD 8A 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000018AAD9961D0, 16 bytes long.
Data: <Xn ­Š > 58 6E 99 AD 8A 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000018AAD98F820, 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 0x0000018AAD996A90, 16 bytes long.
Data: <0n ­Š > 30 6E 99 AD 8A 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000018AAD990180, 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 0x0000018AAD995E60, 16 bytes long.
Data: <xm ­Š > 78 6D 99 AD 8A 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000018AAD996B30, 16 bytes long.
Data: <Pm ­Š > 50 6D 99 AD 8A 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000018AAD996180, 16 bytes long.
Data: <(m ­Š > 28 6D 99 AD 8A 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000018AAD9969A0, 16 bytes long.
Data: < m ­Š > 00 6D 99 AD 8A 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000018AAD995E10, 16 bytes long.
Data: <Øl ­Š > D8 6C 99 AD 8A 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000018AAD996630, 16 bytes long.
Data: <°l ­Š > B0 6C 99 AD 8A 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000018AAD996770, 16 bytes long.
Data: <pW ­Š > 70 57 99 AD 8A 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000018AAD995770, 40 bytes long.
Data: <pg ­Š @w ¯Š > 70 67 99 AD 8A 01 00 00 40 77 88 AF 8A 01 00 00
{262} normal block at 0x0000018AAD996130, 16 bytes long.
Data: < l ­Š > 90 6C 99 AD 8A 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000018AAD9964F0, 16 bytes long.
Data: <hl ­Š > 68 6C 99 AD 8A 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000018AAD9903C0, 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 0x0000018AAD996A40, 16 bytes long.
Data: <@l ­Š > 40 6C 99 AD 8A 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000018AAD996C40, 992 bytes long.
Data: <@j ­Š À ­Š > 40 6A 99 AD 8A 01 00 00 C0 03 99 AD 8A 01 00 00
{94} normal block at 0x0000018AAD98FCA0, 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 0x0000018AAD98DA80, 16 bytes long.
Data: < ò—­Š > A0 F2 97 AD 8A 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x0000018AAD97F2A0, 40 bytes long.
Data: < Ú ­Š  ü ­Š > 80 DA 98 AD 8A 01 00 00 A0 FC 98 AD 8A 01 00 00
{71} normal block at 0x0000018AAD98E340, 16 bytes long.
Data: < êu4ö > 80 EA 75 34 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000018AAD98D7B0, 16 bytes long.
Data: <@éu4ö > 40 E9 75 34 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000018AAD98E570, 16 bytes long.
Data: <øWr4ö > F8 57 72 34 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000018AAD98D990, 16 bytes long.
Data: <ØWr4ö > D8 57 72 34 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000018AAD98DA30, 16 bytes long.
Data: <P r4ö > 50 04 72 34 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000018AAD98D6C0, 16 bytes long.
Data: <0 r4ö > 30 04 72 34 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000018AAD98DDA0, 16 bytes long.
Data: <à r4ö > E0 02 72 34 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000018AAD98DD00, 16 bytes long.
Data: < r4ö > 10 04 72 34 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000018AAD98DFD0, 16 bytes long.
Data: <p r4ö > 70 04 72 34 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000018AAD98DAD0, 16 bytes long.
Data: < Àp4ö > 18 C0 70 34 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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