Task 38686074
| Name | test_80-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND6853_1 |
| Workunit | 31627511 |
| Created | 28 Oct 2026, 0:33:05 UTC |
| Sent | 28 Oct 2026, 0:33:11 UTC |
| Report deadline | 2 Nov 2026, 0:33:11 UTC |
| Received | 28 Oct 2026, 2:01:39 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 644675 |
| Run time | 24 min 44 sec |
| CPU time | 21 min 50 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 56,774.19 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 754.92 MB |
| Peak swap size | 10.05 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.13</core_client_version>
<![CDATA[
<stderr_txt>
20:37:45 (43028): wrapper (7.9.26016): starting
20:37:45 (43028): 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
20:37:46 (43028): Library/usr/bin/tar.exe exited; CPU time 0.046875
20:37:46 (43028): 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\17\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\17\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
21:01:09 (43028): C:/Windows/system32/cmd.exe exited; CPU time 1310.328125
21:01:09 (43028): 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: 39206383 bytes.
Dumping objects ->
{3835602} normal block at 0x000001E6860FFCF0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835591} normal block at 0x000001E6860FFB30, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835580} normal block at 0x000001E6860FF510, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835569} normal block at 0x000001E684356880, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835558} normal block at 0x000001E684356810, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835527} normal block at 0x000001E6861495D0, 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) : {3835514} normal block at 0x000001E68434C620, 8 bytes long.
Data: < †„æ > 00 00 86 84 E6 01 00 00
{3833973} normal block at 0x000001E68434C850, 8 bytes long.
Data: <Ðt †æ > D0 74 1A 86 E6 01 00 00
..\zip\boinc_zip.cpp(122) : {318} normal block at 0x000001E684352670, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x000001E684347DD0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{302} normal block at 0x000001E684357F00, 16 bytes long.
Data: <(‰5„æ > 28 89 35 84 E6 01 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x000001E684357DC0, 16 bytes long.
Data: < ‰5„æ > 00 89 35 84 E6 01 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001E684350EC0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{299} normal block at 0x000001E684357D70, 16 bytes long.
Data: <Ø 5„æ > D8 88 35 84 E6 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001E684357D20, 16 bytes long.
Data: <° 5„æ > B0 88 35 84 E6 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001E684358270, 16 bytes long.
Data: < 5„æ > 88 88 35 84 E6 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001E684358400, 16 bytes long.
Data: <` 5„æ > 60 88 35 84 E6 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001E684356B90, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{294} normal block at 0x000001E684358090, 16 bytes long.
Data: < 4„æ > 18 05 34 84 E6 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001E684350C20, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{292} normal block at 0x000001E684358360, 16 bytes long.
Data: <ð 4„æ > F0 04 34 84 E6 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001E684358040, 16 bytes long.
Data: <È 4„æ > C8 04 34 84 E6 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001E684357B40, 16 bytes long.
Data: <  4„æ > A0 04 34 84 E6 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001E684357960, 16 bytes long.
Data: <x 4„æ > 78 04 34 84 E6 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001E684357AA0, 16 bytes long.
Data: <P 4„æ > 50 04 34 84 E6 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001E684358130, 16 bytes long.
Data: <( 4„æ > 28 04 34 84 E6 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001E684350E60, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{284} normal block at 0x000001E684357FF0, 16 bytes long.
Data: < 4„æ > 00 04 34 84 E6 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001E684340400, 320 bytes long.
Data: <ð 5„æ ` 5„æ > F0 7F 35 84 E6 01 00 00 60 0E 35 84 E6 01 00 00
{282} normal block at 0x000001E684358310, 16 bytes long.
Data: <@ 5„æ > 40 88 35 84 E6 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001E684357EB0, 16 bytes long.
Data: < 5„æ > 18 88 35 84 E6 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001E684350740, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{279} normal block at 0x000001E6843577D0, 16 bytes long.
Data: <ð‡5„æ > F0 87 35 84 E6 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001E684350920, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{277} normal block at 0x000001E684357E10, 16 bytes long.
Data: <8‡5„æ > 38 87 35 84 E6 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001E684357A00, 16 bytes long.
Data: < ‡5„æ > 10 87 35 84 E6 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001E684357780, 16 bytes long.
Data: <è†5„æ > E8 86 35 84 E6 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001E684358540, 16 bytes long.
Data: <ˠ5㾠> C0 86 35 84 E6 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001E6843583B0, 16 bytes long.
Data: < †5„æ > 98 86 35 84 E6 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001E6843580E0, 16 bytes long.
Data: <p†5„æ > 70 86 35 84 E6 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001E684357E60, 16 bytes long.
Data: <Pf5„æ > 50 66 35 84 E6 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001E684356650, 40 bytes long.
Data: <`~5„æ Е †æ > 60 7E 35 84 E6 01 00 00 D0 95 14 86 E6 01 00 00
{268} normal block at 0x000001E684357C80, 16 bytes long.
Data: <P†5„æ > 50 86 35 84 E6 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001E684357C30, 16 bytes long.
Data: <(†5„æ > 28 86 35 84 E6 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001E684350F20, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{265} normal block at 0x000001E684357BE0, 16 bytes long.
Data: < †5„æ > 00 86 35 84 E6 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001E684358600, 992 bytes long.
Data: <à{5„æ 5„æ > E0 7B 35 84 E6 01 00 00 20 0F 35 84 E6 01 00 00
{100} normal block at 0x000001E6843504A0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{99} normal block at 0x000001E68434BCC0, 16 bytes long.
Data: <°j5„æ > B0 6A 35 84 E6 01 00 00 00 00 00 00 00 00 00 00
{98} normal block at 0x000001E684356AB0, 40 bytes long.
Data: <À¼4„æ   5„æ > C0 BC 34 84 E6 01 00 00 A0 04 35 84 E6 01 00 00
{77} normal block at 0x000001E68434C6C0, 16 bytes long.
Data: < êvÁö > 80 EA 76 C1 F6 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x000001E68434C440, 16 bytes long.
Data: <@évÁö > 40 E9 76 C1 F6 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x000001E68434C7B0, 16 bytes long.
Data: <øWsÁö > F8 57 73 C1 F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000001E68434C350, 16 bytes long.
Data: <ØWsÁö > D8 57 73 C1 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001E68434BFE0, 16 bytes long.
Data: <P sÁö > 50 04 73 C1 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001E68434BC70, 16 bytes long.
Data: <0 sÁö > 30 04 73 C1 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001E68434C170, 16 bytes long.
Data: <à sÁö > E0 02 73 C1 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001E68434C2B0, 16 bytes long.
Data: < sÁö > 10 04 73 C1 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001E68434BEF0, 16 bytes long.
Data: <p sÁö > 70 04 73 C1 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001E68434BC20, 16 bytes long.
Data: < ÀqÁö > 18 C0 71 C1 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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