Task 38679129
| Name | test_1188-GPUGRID_TEST_ATM_2STEP_20261024-1-2-RND8290_0 |
| Workunit | 31620920 |
| Created | 26 Oct 2026, 19:33:27 UTC |
| Sent | 26 Oct 2026, 19:33:30 UTC |
| Report deadline | 31 Oct 2026, 19:33:30 UTC |
| Received | 26 Oct 2026, 22:07:18 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 609955 |
| Run time | 33 min 45 sec |
| CPU time | 26 min 44 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 22,590.50 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 754.73 MB |
| Peak swap size | 9.93 GB |
| Peak disk usage | 4.06 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
06:37:44 (23020): wrapper (7.9.26016): starting
06:37:44 (23020): 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
06:37:46 (23020): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:37:46 (23020): 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 'D:\BOINC\slots\18\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 'D:\BOINC\slots\18\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
07:04:58 (23020): C:/Windows/system32/cmd.exe exited; CPU time 1604.562500
07:04:58 (23020): called boinc_finish(0)
0 bytes in 0 Free Blocks.
456 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: 31345019 bytes.
Dumping objects ->
{3835578} normal block at 0x0000019EE7765760, 48 bytes long.
Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835567} normal block at 0x0000019EE98D1340, 32 bytes long.
Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835556} normal block at 0x0000019EE98D14C0, 32 bytes long.
Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F
{3835545} normal block at 0x0000019EE98D1AC0, 32 bytes long.
Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835534} normal block at 0x0000019EE98D1640, 32 bytes long.
Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C
{3835503} normal block at 0x0000019EE7765450, 48 bytes long.
Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835492} normal block at 0x0000019EE77BE610, 140 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) : {3835489} normal block at 0x0000019EE775F5C0, 8 bytes long.
Data: < o > 00 00 6F E7 9E 01 00 00
{3834767} normal block at 0x0000019EE77BD430, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3834069} normal block at 0x0000019EE775F1B0, 8 bytes long.
Data: <`Kv > 60 4B 76 E7 9E 01 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000019EE7756F10, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x0000019EE7757A70, 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 0x0000019EE77661E0, 16 bytes long.
Data: <Øsv > D8 73 76 E7 9E 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000019EE77660F0, 16 bytes long.
Data: <°sv > B0 73 76 E7 9E 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000019EE7761A10, 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 0x0000019EE7767040, 16 bytes long.
Data: < sv > 88 73 76 E7 9E 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000019EE7766550, 16 bytes long.
Data: <`sv > 60 73 76 E7 9E 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000019EE7766AF0, 16 bytes long.
Data: <8sv > 38 73 76 E7 9E 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000019EE7766AA0, 16 bytes long.
Data: < sv > 10 73 76 E7 9E 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000019EE77651B0, 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 0x0000019EE7766320, 16 bytes long.
Data: <ؾt > D8 BE 74 E7 9E 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000019EE7761950, 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 0x0000019EE7766F00, 16 bytes long.
Data: <°¾t > B0 BE 74 E7 9E 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000019EE7766690, 16 bytes long.
Data: < ¾t > 88 BE 74 E7 9E 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000019EE7766A50, 16 bytes long.
Data: <`¾t > 60 BE 74 E7 9E 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000019EE7766960, 16 bytes long.
Data: <8¾t > 38 BE 74 E7 9E 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000019EE7766370, 16 bytes long.
Data: < ¾t > 10 BE 74 E7 9E 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000019EE7766230, 16 bytes long.
Data: < ½t > E8 BD 74 E7 9E 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000019EE77619B0, 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 0x0000019EE7766C80, 16 bytes long.
Data: <À½t > C0 BD 74 E7 9E 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000019EE774BDC0, 320 bytes long.
Data: < lv ° v > 80 6C 76 E7 9E 01 00 00 B0 19 76 E7 9E 01 00 00
{279} normal block at 0x0000019EE7766140, 16 bytes long.
Data: < rv > F0 72 76 E7 9E 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000019EE7766EB0, 16 bytes long.
Data: <Èrv > C8 72 76 E7 9E 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000019EE77611D0, 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 0x0000019EE7766640, 16 bytes long.
Data: < rv > A0 72 76 E7 9E 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000019EE7760D50, 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 0x0000019EE7766BE0, 16 bytes long.
Data: < qv > E8 71 76 E7 9E 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000019EE77667D0, 16 bytes long.
Data: <Àqv > C0 71 76 E7 9E 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000019EE7766A00, 16 bytes long.
Data: < qv > 98 71 76 E7 9E 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000019EE77663C0, 16 bytes long.
Data: <pqv > 70 71 76 E7 9E 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000019EE77665F0, 16 bytes long.
Data: <Hqv > 48 71 76 E7 9E 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000019EE7766CD0, 16 bytes long.
Data: < qv > 20 71 76 E7 9E 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000019EE77669B0, 16 bytes long.
Data: < Vv > 80 56 76 E7 9E 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000019EE7765680, 40 bytes long.
Data: <°iv PTv > B0 69 76 E7 9E 01 00 00 50 54 76 E7 9E 01 00 00
{265} normal block at 0x0000019EE7766B40, 16 bytes long.
Data: < qv > 00 71 76 E7 9E 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000019EE77665A0, 16 bytes long.
Data: <Øpv > D8 70 76 E7 9E 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000019EE7761110, 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 0x0000019EE7766E60, 16 bytes long.
Data: <°pv > B0 70 76 E7 9E 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000019EE77670B0, 992 bytes long.
Data: <`nv v > 60 6E 76 E7 9E 01 00 00 10 11 76 E7 9E 01 00 00
{97} normal block at 0x0000019EE77615F0, 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 0x0000019EE775F160, 16 bytes long.
Data: <PËt > 50 CB 74 E7 9E 01 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x0000019EE774CB50, 40 bytes long.
Data: <` u v > 60 F1 75 E7 9E 01 00 00 F0 15 76 E7 9E 01 00 00
{72} normal block at 0x0000019EE775F700, 16 bytes long.
Data: < × > 80 EA 94 D7 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000019EE775F020, 16 bytes long.
Data: <@ × > 40 E9 94 D7 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000019EE775EA80, 16 bytes long.
Data: < W × > F8 57 91 D7 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000019EE775EF80, 16 bytes long.
Data: <ØW × > D8 57 91 D7 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000019EE775ED50, 16 bytes long.
Data: <P × > 50 04 91 D7 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000019EE775F890, 16 bytes long.
Data: <0 × > 30 04 91 D7 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000019EE775EEE0, 16 bytes long.
Data: < × > E0 02 91 D7 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000019EE775F110, 16 bytes long.
Data: < × > 10 04 91 D7 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000019EE775EC10, 16 bytes long.
Data: <p × > 70 04 91 D7 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000019EE775F2A0, 16 bytes long.
Data: < À × > 18 C0 8F D7 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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