Task 38689134
| Name | test_363-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND1539_0 |
| Workunit | 31630409 |
| Created | 28 Oct 2026, 18:37:34 UTC |
| Sent | 28 Oct 2026, 18:37:42 UTC |
| Report deadline | 2 Nov 2026, 18:37:42 UTC |
| Received | 28 Oct 2026, 19:07:47 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 648831 |
| Run time | 27 min 46 sec |
| CPU time | 24 min 56 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 83,070.51 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 737.08 MB |
| Peak swap size | 13.15 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:32:27 (28104): wrapper (7.9.26016): starting
03:32:27 (28104): 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
03:32:29 (28104): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:32:29 (28104): 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\28\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\28\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
03:58:33 (28104): C:/Windows/system32/cmd.exe exited; CPU time 1496.062500
03:58:33 (28104): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 27997375 bytes.
Dumping objects ->
{3835370} normal block at 0x000001E6B9D1D950, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835359} normal block at 0x000001E6B9D1E2F0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835348} normal block at 0x000001E6B9D1D4F0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835337} normal block at 0x000001E6B9D1E3D0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835326} normal block at 0x000001E6B9D1DD40, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835295} normal block at 0x000001E6BBEDCE50, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835284} normal block at 0x000001E6BBEF2A00, 102 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) : {3835281} normal block at 0x000001E6B9CEE3F0, 8 bytes long.
Data: < º > 00 00 03 BA E6 01 00 00
{3834663} normal block at 0x000001E6BBEF2950, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3834061} normal block at 0x000001E6B9CEE440, 8 bytes long.
Data: <`Û͹ > 60 DB CD B9 E6 01 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001E6B9CE92B0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001E6B9CE1C10, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x000001E6B9CFA570, 16 bytes long.
Data: <(³Ï¹ > 28 B3 CF B9 E6 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001E6B9CFA8E0, 16 bytes long.
Data: < ³Ï¹ > 00 B3 CF B9 E6 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001E6B9CF5850, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x000001E6B9CFA520, 16 bytes long.
Data: <زϹ > D8 B2 CF B9 E6 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001E6B9CFA020, 16 bytes long.
Data: <°²Ï¹ > B0 B2 CF B9 E6 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001E6B9CFA4D0, 16 bytes long.
Data: < ²Ï¹ > 88 B2 CF B9 E6 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001E6B9CF9F30, 16 bytes long.
Data: <`²Ï¹ > 60 B2 CF B9 E6 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001E6B9CF4540, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x000001E6B9CFA2F0, 16 bytes long.
Data: <( Ϲ > 28 9D CF B9 E6 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001E6B9CF62D0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x000001E6B9CFAB60, 16 bytes long.
Data: < Ϲ > 00 9D CF B9 E6 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001E6B9CFA0C0, 16 bytes long.
Data: <Ø Ï¹ > D8 9C CF B9 E6 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001E6B9CFA840, 16 bytes long.
Data: <° Ϲ > B0 9C CF B9 E6 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001E6B9CF9EE0, 16 bytes long.
Data: < Ϲ > 88 9C CF B9 E6 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001E6B9CFAB10, 16 bytes long.
Data: <` Ϲ > 60 9C CF B9 E6 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001E6B9CFA890, 16 bytes long.
Data: <8 Ϲ > 38 9C CF B9 E6 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001E6B9CF6330, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x000001E6B9CFA480, 16 bytes long.
Data: < Ϲ > 10 9C CF B9 E6 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001E6B9CF9C10, 320 bytes long.
Data: < ¤Ï¹ 0cϹ > 80 A4 CF B9 E6 01 00 00 30 63 CF B9 E6 01 00 00
{277} normal block at 0x000001E6B9CFA1B0, 16 bytes long.
Data: <@²Ï¹ > 40 B2 CF B9 E6 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001E6B9CF9E90, 16 bytes long.
Data: < ²Ï¹ > 18 B2 CF B9 E6 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001E6B9CF5910, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x000001E6B9CFA430, 16 bytes long.
Data: < ±Ï¹ > F0 B1 CF B9 E6 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001E6B9CF6270, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x000001E6B9CFA3E0, 16 bytes long.
Data: <8±Ï¹ > 38 B1 CF B9 E6 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001E6B9CFAD40, 16 bytes long.
Data: < ±Ï¹ > 10 B1 CF B9 E6 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001E6B9CFA980, 16 bytes long.
Data: < °Ï¹ > E8 B0 CF B9 E6 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001E6B9CFACF0, 16 bytes long.
Data: <À°Ï¹ > C0 B0 CF B9 E6 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001E6B9CFA110, 16 bytes long.
Data: < °Ï¹ > 98 B0 CF B9 E6 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001E6B9CFADE0, 16 bytes long.
Data: <p°Ï¹ > 70 B0 CF B9 E6 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001E6B9CFA7A0, 16 bytes long.
Data: <ÐDϹ > D0 44 CF B9 E6 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001E6B9CF44D0, 40 bytes long.
Data: < §Ï¹ PÎ » > A0 A7 CF B9 E6 01 00 00 50 CE ED BB E6 01 00 00
{263} normal block at 0x000001E6B9CFACA0, 16 bytes long.
Data: <P°Ï¹ > 50 B0 CF B9 E6 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001E6B9CFA7F0, 16 bytes long.
Data: <(°Ï¹ > 28 B0 CF B9 E6 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001E6B9CF6450, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x000001E6B9CFAD90, 16 bytes long.
Data: < °Ï¹ > 00 B0 CF B9 E6 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001E6B9CFB000, 992 bytes long.
Data: < ­Ï¹ PdϹ > 90 AD CF B9 E6 01 00 00 50 64 CF B9 E6 01 00 00
{95} normal block at 0x000001E6B9CF5D30, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x000001E6B9CEEBC0, 16 bytes long.
Data: <0IϹ > 30 49 CF B9 E6 01 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x000001E6B9CF4930, 40 bytes long.
Data: <À ι 0]Ϲ > C0 EB CE B9 E6 01 00 00 30 5D CF B9 E6 01 00 00
{70} normal block at 0x000001E6B9CEE3A0, 16 bytes long.
Data: < ; > 80 EA 03 3B F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001E6B9CEE6C0, 16 bytes long.
Data: <@ ; > 40 E9 03 3B F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001E6B9CEDF40, 16 bytes long.
Data: < W ; > F8 57 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001E6B9CEDEF0, 16 bytes long.
Data: <ØW ; > D8 57 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001E6B9CEEC10, 16 bytes long.
Data: <P ; > 50 04 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001E6B9CEEB20, 16 bytes long.
Data: <0 ; > 30 04 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001E6B9CEDEA0, 16 bytes long.
Data: < ; > E0 02 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001E6B9CEE800, 16 bytes long.
Data: < ; > 10 04 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001E6B9CEDDB0, 16 bytes long.
Data: <p ; > 70 04 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001E6B9CEE710, 16 bytes long.
Data: < À : > 18 C0 FE 3A F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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