Task 38683324
| Name | test_54-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND4596_0 |
| Workunit | 31624895 |
| Created | 27 Oct 2026, 11:23:48 UTC |
| Sent | 27 Oct 2026, 11:23:51 UTC |
| Report deadline | 1 Nov 2026, 11:23:51 UTC |
| Received | 27 Oct 2026, 11:55:24 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 606178 |
| Run time | 30 min 30 sec |
| CPU time | 29 min 1 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 16,200.74 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 712.13 MB |
| Peak swap size | 6.89 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.13</core_client_version>
<![CDATA[
<stderr_txt>
12:25:04 (34344): wrapper (7.9.26016): starting
12:25:04 (34344): 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
12:25:05 (34344): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:25:05 (34344): 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
12:54:31 (34344): C:/Windows/system32/cmd.exe exited; CPU time 1741.218750
12:54:31 (34344): 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: 37886879 bytes.
Dumping objects ->
{3835262} normal block at 0x0000019EE48CB7D0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835251} normal block at 0x0000019EE48CB680, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835240} normal block at 0x0000019EE48CB4C0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835229} normal block at 0x0000019EE48CAB20, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835218} normal block at 0x0000019EE48CB0D0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835187} normal block at 0x0000019EE6586D90, 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) : {3835174} normal block at 0x0000019EE489FE20, 8 bytes long.
Data: < Óäž > 00 00 D3 E4 9E 01 00 00
{3833967} normal block at 0x0000019EE48A0050, 8 bytes long.
Data: < w^æž > 90 77 5E E6 9E 01 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000019EE48A2E80, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x0000019EE4897C30, 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 0x0000019EE48A7820, 16 bytes long.
Data: < ‡Šäž > 98 87 8A E4 9E 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000019EE48A7730, 16 bytes long.
Data: <p‡Šäž > 70 87 8A E4 9E 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000019EE48A2870, 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 0x0000019EE48A7A00, 16 bytes long.
Data: <H‡Šäž > 48 87 8A E4 9E 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000019EE48A79B0, 16 bytes long.
Data: < ‡Šäž > 20 87 8A E4 9E 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000019EE48A7960, 16 bytes long.
Data: <ø†Šäž > F8 86 8A E4 9E 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000019EE48A8040, 16 bytes long.
Data: <ІŠäž > D0 86 8A E4 9E 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000019EE48A5CC0, 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 0x0000019EE48A7E60, 16 bytes long.
Data: < ‰äž > 98 04 89 E4 9E 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000019EE48A2690, 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 0x0000019EE48A77D0, 16 bytes long.
Data: <p ‰äž > 70 04 89 E4 9E 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000019EE48A7C80, 16 bytes long.
Data: <H ‰äž > 48 04 89 E4 9E 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000019EE48A7DC0, 16 bytes long.
Data: < ‰äž > 20 04 89 E4 9E 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000019EE48A7BE0, 16 bytes long.
Data: <ø ‰äž > F8 03 89 E4 9E 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000019EE48A80E0, 16 bytes long.
Data: <Ð ‰äž > D0 03 89 E4 9E 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000019EE48A7AF0, 16 bytes long.
Data: <¨ ‰äž > A8 03 89 E4 9E 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000019EE48A1D90, 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 0x0000019EE48A7B90, 16 bytes long.
Data: < ‰äž > 80 03 89 E4 9E 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000019EE4890380, 320 bytes long.
Data: < {Šäž Šäž > 90 7B 8A E4 9E 01 00 00 90 1D 8A E4 9E 01 00 00
{279} normal block at 0x0000019EE48A7CD0, 16 bytes long.
Data: <°†Šäž > B0 86 8A E4 9E 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000019EE48A7910, 16 bytes long.
Data: < †Šäž > 88 86 8A E4 9E 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000019EE48A2090, 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 0x0000019EE48A76E0, 16 bytes long.
Data: <`†Šäž > 60 86 8A E4 9E 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000019EE48A2630, 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 0x0000019EE48A8090, 16 bytes long.
Data: <¨…Šäž > A8 85 8A E4 9E 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000019EE48A7F00, 16 bytes long.
Data: < …Šäž > 80 85 8A E4 9E 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000019EE48A7B40, 16 bytes long.
Data: <X…Šäž > 58 85 8A E4 9E 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000019EE48A8400, 16 bytes long.
Data: <0…Šäž > 30 85 8A E4 9E 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000019EE48A78C0, 16 bytes long.
Data: < …Šäž > 08 85 8A E4 9E 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000019EE48A7550, 16 bytes long.
Data: <à„Šäž > E0 84 8A E4 9E 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000019EE48A7690, 16 bytes long.
Data: <ð^Šäž > F0 5E 8A E4 9E 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000019EE48A5EF0, 40 bytes long.
Data: < vŠäž mXæž > 90 76 8A E4 9E 01 00 00 90 6D 58 E6 9E 01 00 00
{265} normal block at 0x0000019EE48A7D70, 16 bytes long.
Data: <À„Šäž > C0 84 8A E4 9E 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000019EE48A7EB0, 16 bytes long.
Data: < „Šäž > 98 84 8A E4 9E 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000019EE48A25D0, 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 0x0000019EE48A82C0, 16 bytes long.
Data: <p„Šäž > 70 84 8A E4 9E 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000019EE48A8470, 992 bytes long.
Data: <À‚Šäž Ð%Šäž > C0 82 8A E4 9E 01 00 00 D0 25 8A E4 9E 01 00 00
{97} normal block at 0x0000019EE48A2450, 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 0x0000019EE489FA10, 16 bytes long.
Data: < ^Šäž > 80 5E 8A E4 9E 01 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x0000019EE48A5E80, 40 bytes long.
Data: < ú‰äž P$Šäž > 10 FA 89 E4 9E 01 00 00 50 24 8A E4 9E 01 00 00
{74} normal block at 0x0000019EE489F650, 16 bytes long.
Data: < êþÇ÷ > 80 EA FE C7 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000019EE489FBA0, 16 bytes long.
Data: <@éþÇ÷ > 40 E9 FE C7 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000019EE489FF10, 16 bytes long.
Data: <øWûÇ÷ > F8 57 FB C7 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000019EE489FFB0, 16 bytes long.
Data: <ØWûÇ÷ > D8 57 FB C7 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000019EE489F6F0, 16 bytes long.
Data: <P ûÇ÷ > 50 04 FB C7 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000019EE489F600, 16 bytes long.
Data: <0 ûÇ÷ > 30 04 FB C7 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000019EE489F510, 16 bytes long.
Data: <à ûÇ÷ > E0 02 FB C7 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000019EE48A0230, 16 bytes long.
Data: < ûÇ÷ > 10 04 FB C7 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000019EE489F740, 16 bytes long.
Data: <p ûÇ÷ > 70 04 FB C7 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000019EE489F830, 16 bytes long.
Data: < ÀùÇ÷ > 18 C0 F9 C7 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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