Task 38698984
| Name | test_462-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND2698_0 |
| Workunit | 31639440 |
| Created | 3 Nov 2026, 9:29:59 UTC |
| Sent | 3 Nov 2026, 9:30:05 UTC |
| Report deadline | 8 Nov 2026, 9:30:05 UTC |
| Received | 3 Nov 2026, 11:12:51 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 644950 |
| Run time | 35 min 31 sec |
| CPU time | 34 min 1 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 15,302.18 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 708.92 MB |
| Peak swap size | 6.86 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
04:34:57 (44760): wrapper (7.9.26016): starting
04:34:57 (44760): 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
04:34:59 (44760): Library/usr/bin/tar.exe exited; CPU time 0.015625
04:34:59 (44760): 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
05:10:43 (44760): C:/Windows/system32/cmd.exe exited; CPU time 2041.671875
05:10:43 (44760): 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: 46298829 bytes.
Dumping objects ->
{3835266} normal block at 0x000001947441BD80, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835255} normal block at 0x000001947441BED0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835244} normal block at 0x000001947441B7D0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835233} normal block at 0x000001947441C330, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835222} normal block at 0x000001947441C2C0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835191} normal block at 0x000001947602E6F0, 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) : {3835178} normal block at 0x00000194743F1520, 8 bytes long.
Data: < :t” > 00 00 3A 74 94 01 00 00
{3833967} normal block at 0x00000194743F1340, 8 bytes long.
Data: <@êLt” > 40 EA 4C 74 94 01 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x00000194743F4770, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x00000194743E7F80, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{299} normal block at 0x00000194743F8C20, 16 bytes long.
Data: <Ø ?t” > D8 0B 3F 74 94 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000194743F8A40, 16 bytes long.
Data: <° ?t” > B0 0B 3F 74 94 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000194743F0070, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{296} normal block at 0x00000194743F8BD0, 16 bytes long.
Data: < ?t” > 88 0B 3F 74 94 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000194743F9260, 16 bytes long.
Data: <` ?t” > 60 0B 3F 74 94 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000194743F9490, 16 bytes long.
Data: <8 ?t” > 38 0B 3F 74 94 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000194743F8B80, 16 bytes long.
Data: < ?t” > 10 0B 3F 74 94 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000194743F2530, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{291} normal block at 0x00000194743F8900, 16 bytes long.
Data: <(¯>t” > 28 AF 3E 74 94 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000194743EF4D0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{289} normal block at 0x00000194743F8860, 16 bytes long.
Data: < ¯>t” > 00 AF 3E 74 94 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000194743F9210, 16 bytes long.
Data: <Ø®>t” > D8 AE 3E 74 94 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000194743F93A0, 16 bytes long.
Data: <°®>t” > B0 AE 3E 74 94 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000194743F8D60, 16 bytes long.
Data: < ®>t” > 88 AE 3E 74 94 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000194743F8E50, 16 bytes long.
Data: <`®>t” > 60 AE 3E 74 94 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000194743F91C0, 16 bytes long.
Data: <8®>t” > 38 AE 3E 74 94 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000194743EF770, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{281} normal block at 0x00000194743F8E00, 16 bytes long.
Data: < ®>t” > 10 AE 3E 74 94 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000194743EAE10, 320 bytes long.
Data: < Ž?t” p÷>t” > 00 8E 3F 74 94 01 00 00 70 F7 3E 74 94 01 00 00
{279} normal block at 0x00000194743F9170, 16 bytes long.
Data: <ð ?t” > F0 0A 3F 74 94 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000194743F9300, 16 bytes long.
Data: <È ?t” > C8 0A 3F 74 94 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000194743EF9B0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{276} normal block at 0x00000194743F89F0, 16 bytes long.
Data: <  ?t” > A0 0A 3F 74 94 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000194743EFB90, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{274} normal block at 0x00000194743F9030, 16 bytes long.
Data: <è ?t” > E8 09 3F 74 94 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000194743F9120, 16 bytes long.
Data: <À ?t” > C0 09 3F 74 94 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000194743F8AE0, 16 bytes long.
Data: < ?t” > 98 09 3F 74 94 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000194743F8DB0, 16 bytes long.
Data: <p ?t” > 70 09 3F 74 94 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000194743F9620, 16 bytes long.
Data: <H ?t” > 48 09 3F 74 94 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000194743F8FE0, 16 bytes long.
Data: < ?t” > 20 09 3F 74 94 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000194743F9440, 16 bytes long.
Data: <@!?t” > 40 21 3F 74 94 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000194743F2140, 40 bytes long.
Data: <@”?t” ðæ v” > 40 94 3F 74 94 01 00 00 F0 E6 02 76 94 01 00 00
{265} normal block at 0x00000194743F8B30, 16 bytes long.
Data: < ?t” > 00 09 3F 74 94 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000194743F8EA0, 16 bytes long.
Data: <Ø ?t” > D8 08 3F 74 94 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000194743EFF50, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{262} normal block at 0x00000194743F9580, 16 bytes long.
Data: <° ?t” > B0 08 3F 74 94 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000194743F08B0, 992 bytes long.
Data: < •?t” Pÿ>t” > 80 95 3F 74 94 01 00 00 50 FF 3E 74 94 01 00 00
{97} normal block at 0x00000194743EF710, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{96} normal block at 0x00000194743F12F0, 16 bytes long.
Data: <  ?t” > A0 1E 3F 74 94 01 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x00000194743F1EA0, 40 bytes long.
Data: <ð ?t” ÷>t” > F0 12 3F 74 94 01 00 00 10 F7 3E 74 94 01 00 00
{74} normal block at 0x00000194743F1660, 16 bytes long.
Data: < ê²’÷ > 80 EA B2 92 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x00000194743F1700, 16 bytes long.
Data: <@é²’÷ > 40 E9 B2 92 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000194743F1890, 16 bytes long.
Data: <øW¯’÷ > F8 57 AF 92 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000194743F12A0, 16 bytes long.
Data: <ØW¯’÷ > D8 57 AF 92 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000194743F1610, 16 bytes long.
Data: <P ¯’÷ > 50 04 AF 92 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000194743F1DE0, 16 bytes long.
Data: <0 ¯’÷ > 30 04 AF 92 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000194743F17F0, 16 bytes long.
Data: <à ¯’÷ > E0 02 AF 92 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000194743F1B60, 16 bytes long.
Data: < ¯’÷ > 10 04 AF 92 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000194743F1C00, 16 bytes long.
Data: <p ¯’÷ > 70 04 AF 92 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000194743F1070, 16 bytes long.
Data: < À­’÷ > 18 C0 AD 92 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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