Task 38688727
| Name | test_747-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND7757_0 |
| Workunit | 31630051 |
| Created | 28 Oct 2026, 15:48:30 UTC |
| Sent | 28 Oct 2026, 15:48:36 UTC |
| Report deadline | 2 Nov 2026, 15:48:36 UTC |
| Received | 28 Oct 2026, 17:19:26 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 618582 |
| Run time | 32 min 8 sec |
| CPU time | 22 min 6 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 | 749.98 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>
09:43:35 (25808): wrapper (7.9.26016): starting
09:43:35 (25808): 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
09:43:36 (25808): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:43:36 (25808): 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\6\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\6\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
10:15:00 (25808): C:/Windows/system32/cmd.exe exited; CPU time 1326.515625
10:15:00 (25808): called boinc_finish(0)
0 bytes in 0 Free Blocks.
566 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: 27762415 bytes.
Dumping objects ->
{3835569} normal block at 0x000001FE282FC430, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835558} normal block at 0x000001FE265C4280, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835547} normal block at 0x000001FE265C4980, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835536} normal block at 0x000001FE265C4910, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835525} normal block at 0x000001FE265C4830, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835494} normal block at 0x000001FE28347DF0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835483} normal block at 0x000001FE265E9A90, 155 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) : {3835480} normal block at 0x000001FE265BE0A0, 8 bytes long.
Data: < ³&þ > 00 00 B3 26 FE 01 00 00
{3834699} normal block at 0x000001FE265E9390, 155 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 0x000001FE265BE500, 8 bytes long.
Data: <ÀÛ (þ > C0 DB 1E 28 FE 01 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001FE265C02A0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001FE265B5780, 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 0x000001FE265C5500, 16 bytes long.
Data: <(_\&þ > 28 5F 5C 26 FE 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001FE265C5B40, 16 bytes long.
Data: < _\&þ > 00 5F 5C 26 FE 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001FE265BF290, 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 0x000001FE265C4F10, 16 bytes long.
Data: <Ø^\&þ > D8 5E 5C 26 FE 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001FE265C51E0, 16 bytes long.
Data: <°^\&þ > B0 5E 5C 26 FE 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001FE265C5640, 16 bytes long.
Data: < ^\&þ > 88 5E 5C 26 FE 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001FE265C5AF0, 16 bytes long.
Data: <`^\&þ > 60 5E 5C 26 FE 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001FE265C48A0, 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 0x000001FE265C50F0, 16 bytes long.
Data: < Ý[&þ > 88 DD 5B 26 FE 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001FE265BF5F0, 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 0x000001FE265C4E70, 16 bytes long.
Data: <`Ý[&þ > 60 DD 5B 26 FE 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001FE265C55F0, 16 bytes long.
Data: <8Ý[&þ > 38 DD 5B 26 FE 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001FE265C5960, 16 bytes long.
Data: < Ý[&þ > 10 DD 5B 26 FE 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001FE265C54B0, 16 bytes long.
Data: <èÜ[&þ > E8 DC 5B 26 FE 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001FE265C4E20, 16 bytes long.
Data: <ÀÜ[&þ > C0 DC 5B 26 FE 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001FE265C50A0, 16 bytes long.
Data: < Ü[&þ > 98 DC 5B 26 FE 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001FE265BF350, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x000001FE265C5410, 16 bytes long.
Data: <pÜ[&þ > 70 DC 5B 26 FE 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001FE265BDC70, 320 bytes long.
Data: < T\&þ Pó[&þ > 10 54 5C 26 FE 01 00 00 50 F3 5B 26 FE 01 00 00
{276} normal block at 0x000001FE265C5AA0, 16 bytes long.
Data: <@^\&þ > 40 5E 5C 26 FE 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001FE265C56E0, 16 bytes long.
Data: < ^\&þ > 18 5E 5C 26 FE 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001FE265BF230, 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 0x000001FE265C5140, 16 bytes long.
Data: <ð]\&þ > F0 5D 5C 26 FE 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001FE265BF1D0, 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 0x000001FE265C5550, 16 bytes long.
Data: <8]\&þ > 38 5D 5C 26 FE 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001FE265C5870, 16 bytes long.
Data: < ]\&þ > 10 5D 5C 26 FE 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001FE265C5A50, 16 bytes long.
Data: <è\\&þ > E8 5C 5C 26 FE 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001FE265C55A0, 16 bytes long.
Data: <À\\&þ > C0 5C 5C 26 FE 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001FE265C5A00, 16 bytes long.
Data: < \\&þ > 98 5C 5C 26 FE 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001FE265C52D0, 16 bytes long.
Data: <p\\&þ > 70 5C 5C 26 FE 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001FE265C5820, 16 bytes long.
Data: <`C\&þ > 60 43 5C 26 FE 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001FE265C4360, 40 bytes long.
Data: < X\&þ ð}4(þ > 20 58 5C 26 FE 01 00 00 F0 7D 34 28 FE 01 00 00
{262} normal block at 0x000001FE265C57D0, 16 bytes long.
Data: <P\\&þ > 50 5C 5C 26 FE 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001FE265C5460, 16 bytes long.
Data: <(\\&þ > 28 5C 5C 26 FE 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001FE265BF650, 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 0x000001FE265C5690, 16 bytes long.
Data: < \\&þ > 00 5C 5C 26 FE 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001FE265C5C00, 992 bytes long.
Data: < V\&þ Pö[&þ > 90 56 5C 26 FE 01 00 00 50 F6 5B 26 FE 01 00 00
{94} normal block at 0x000001FE265BEFF0, 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 0x000001FE265BDFB0, 16 bytes long.
Data: <àïZ&þ > E0 EF 5A 26 FE 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000001FE265AEFE0, 40 bytes long.
Data: <°ß[&þ ðï[&þ > B0 DF 5B 26 FE 01 00 00 F0 EF 5B 26 FE 01 00 00
{71} normal block at 0x000001FE265BE690, 16 bytes long.
Data: < ê#A÷ > 80 EA 23 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001FE265BE7D0, 16 bytes long.
Data: <@é#A÷ > 40 E9 23 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001FE265BE050, 16 bytes long.
Data: <øW A÷ > F8 57 20 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001FE265BE320, 16 bytes long.
Data: <ØW A÷ > D8 57 20 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001FE265BECD0, 16 bytes long.
Data: <P A÷ > 50 04 20 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001FE265BE6E0, 16 bytes long.
Data: <0 A÷ > 30 04 20 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001FE265BE640, 16 bytes long.
Data: <à A÷ > E0 02 20 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001FE265BEA00, 16 bytes long.
Data: < A÷ > 10 04 20 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001FE265BE230, 16 bytes long.
Data: <p A÷ > 70 04 20 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001FE265BE000, 16 bytes long.
Data: < À A÷ > 18 C0 1E 41 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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