Task 38680408
| Name | test_494-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND5420_0 |
| Workunit | 31622129 |
| Created | 26 Oct 2026, 23:51:22 UTC |
| Sent | 26 Oct 2026, 23:51:25 UTC |
| Report deadline | 31 Oct 2026, 23:51:25 UTC |
| Received | 27 Oct 2026, 2:06:35 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 623100 |
| Run time | 24 min 35 sec |
| CPU time | 22 min 55 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 31,239.72 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 788.93 MB |
| Peak swap size | 9.99 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:42:22 (11144): wrapper (7.9.26016): starting
02:42:22 (11144): 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
02:42:24 (11144): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:42:24 (11144): 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\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\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
03:06:13 (11144): C:/Windows/system32/cmd.exe exited; CPU time 1375.531250
03:06:13 (11144): 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: 21966045 bytes.
Dumping objects ->
{3835317} normal block at 0x000001DBFEFE5430, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835306} normal block at 0x000001DBFEFE53C0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835295} normal block at 0x000001DBFEFE54A0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835284} normal block at 0x000001DBFEFE52E0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835273} normal block at 0x000001DBFEFE5270, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835242} normal block at 0x000001DBFF9F6B80, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835231} normal block at 0x000001DBFFA0F2E0, 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) : {3835228} normal block at 0x000001DBFEFDFE10, 8 bytes long.
Data: < O Û > 00 00 4F FF DB 01 00 00
{3834592} normal block at 0x000001DBFFA0F230, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833969} normal block at 0x000001DBFEFDF050, 8 bytes long.
Data: <0Ô Û > 30 D4 0B FF DB 01 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000001DBFEFE15A0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x000001DBFEFD5C90, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{300} normal block at 0x000001DBFEFE5F00, 16 bytes long.
Data: <xiþþÛ > 78 69 FE FE DB 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001DBFEFE6040, 16 bytes long.
Data: <PiþþÛ > 50 69 FE FE DB 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001DBFEFDDC30, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{297} normal block at 0x000001DBFEFE5CD0, 16 bytes long.
Data: <(iþþÛ > 28 69 FE FE DB 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001DBFEFE56E0, 16 bytes long.
Data: < iþþÛ > 00 69 FE FE DB 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001DBFEFE5870, 16 bytes long.
Data: <ØhþþÛ > D8 68 FE FE DB 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001DBFEFE6130, 16 bytes long.
Data: <°hþþÛ > B0 68 FE FE DB 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001DBFEFE4E80, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{292} normal block at 0x000001DBFEFE5E60, 16 bytes long.
Data: <8ýþÛ > 38 8F FD FE DB 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001DBFEFDD450, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{290} normal block at 0x000001DBFEFE6180, 16 bytes long.
Data: < ýþÛ > 10 8F FD FE DB 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001DBFEFE62C0, 16 bytes long.
Data: <è ýþÛ > E8 8E FD FE DB 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001DBFEFE65E0, 16 bytes long.
Data: <À ýþÛ > C0 8E FD FE DB 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001DBFEFE5D70, 16 bytes long.
Data: < ýþÛ > 98 8E FD FE DB 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001DBFEFE5EB0, 16 bytes long.
Data: <p ýþÛ > 70 8E FD FE DB 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001DBFEFE5AA0, 16 bytes long.
Data: <H ýþÛ > 48 8E FD FE DB 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001DBFEFDD630, 32 bytes long.
Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55
{282} normal block at 0x000001DBFEFE6090, 16 bytes long.
Data: < ýþÛ > 20 8E FD FE DB 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001DBFEFD8E20, 320 bytes long.
Data: < `þþÛ 0ÖýþÛ > 90 60 FE FE DB 01 00 00 30 D6 FD FE DB 01 00 00
{280} normal block at 0x000001DBFEFE5F50, 16 bytes long.
Data: < hþþÛ > 90 68 FE FE DB 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001DBFEFE5960, 16 bytes long.
Data: <hhþþÛ > 68 68 FE FE DB 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001DBFEFDD930, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{277} normal block at 0x000001DBFEFE5DC0, 16 bytes long.
Data: <@hþþÛ > 40 68 FE FE DB 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001DBFEFDDBD0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{275} normal block at 0x000001DBFEFE5FF0, 16 bytes long.
Data: < gþþÛ > 88 67 FE FE DB 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001DBFEFE5C80, 16 bytes long.
Data: <`gþþÛ > 60 67 FE FE DB 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001DBFEFE6220, 16 bytes long.
Data: <8gþþÛ > 38 67 FE FE DB 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001DBFEFE5E10, 16 bytes long.
Data: < gþþÛ > 10 67 FE FE DB 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001DBFEFE6540, 16 bytes long.
Data: <èfþþÛ > E8 66 FE FE DB 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001DBFEFE5C30, 16 bytes long.
Data: <ÀfþþÛ > C0 66 FE FE DB 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001DBFEFE5730, 16 bytes long.
Data: < UþþÛ > 80 55 FE FE DB 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001DBFEFE5580, 40 bytes long.
Data: <0WþþÛ k Û > 30 57 FE FE DB 01 00 00 80 6B 9F FF DB 01 00 00
{266} normal block at 0x000001DBFEFE5A50, 16 bytes long.
Data: < fþþÛ > A0 66 FE FE DB 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001DBFEFE64A0, 16 bytes long.
Data: <xfþþÛ > 78 66 FE FE DB 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001DBFEFDD9F0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{263} normal block at 0x000001DBFEFE6450, 16 bytes long.
Data: <PfþþÛ > 50 66 FE FE DB 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001DBFEFE6650, 992 bytes long.
Data: <PdþþÛ ðÙýþÛ > 50 64 FE FE DB 01 00 00 F0 D9 FD FE DB 01 00 00
{98} normal block at 0x000001DBFEFDDF90, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{97} normal block at 0x000001DBFEFDF500, 16 bytes long.
Data: <ÀáüþÛ > C0 E1 FC FE DB 01 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x000001DBFEFCE1C0, 40 bytes long.
Data: < õýþÛ ßýþÛ > 00 F5 FD FE DB 01 00 00 90 DF FD FE DB 01 00 00
{75} normal block at 0x000001DBFEFDFDC0, 16 bytes long.
Data: < êi ö > 80 EA 69 98 F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000001DBFEFDF4B0, 16 bytes long.
Data: <@éi ö > 40 E9 69 98 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001DBFEFDF230, 16 bytes long.
Data: <øWf ö > F8 57 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001DBFEFDF1E0, 16 bytes long.
Data: <ØWf ö > D8 57 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001DBFEFDF640, 16 bytes long.
Data: <P f ö > 50 04 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001DBFEFDFC80, 16 bytes long.
Data: <0 f ö > 30 04 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001DBFEFDFBE0, 16 bytes long.
Data: <à f ö > E0 02 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001DBFEFDF410, 16 bytes long.
Data: < f ö > 10 04 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001DBFEFDFA50, 16 bytes long.
Data: <p f ö > 70 04 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001DBFEFDF6E0, 16 bytes long.
Data: < Àd ö > 18 C0 64 98 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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