Task 38681892
| Name | test_772-GPUGRID_TEST_ATM_40STEP_20261023-7-40-RND3966_0 |
| Workunit | 31623535 |
| Created | 27 Oct 2026, 5:46:29 UTC |
| Sent | 27 Oct 2026, 5:46:43 UTC |
| Report deadline | 1 Nov 2026, 5:46:43 UTC |
| Received | 27 Oct 2026, 6:24:16 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 585486 |
| Run time | 32 min 22 sec |
| CPU time | 29 min 40 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 21,377.06 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 701.41 MB |
| Peak swap size | 6.90 GB |
| Peak disk usage | 3.02 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:52:42 (34828): wrapper (7.9.26016): starting
00:52:42 (34828): 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
00:52:43 (34828): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:52:43 (34828): 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\14\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\14\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
01:23:49 (34828): C:/Windows/system32/cmd.exe exited; CPU time 1780.328125
01:23:49 (34828): 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: 42279115 bytes.
Dumping objects ->
{3835265} normal block at 0x000001D69316EEB0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835254} normal block at 0x000001D691536020, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835243} normal block at 0x000001D691535ED0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835232} normal block at 0x000001D691535D10, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835221} normal block at 0x000001D691535FB0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835190} normal block at 0x000001D6931BA110, 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) : {3835177} normal block at 0x000001D6915300B0, 8 bytes long.
Data: < š‘Ö > 00 00 9A 91 D6 01 00 00
{3833963} normal block at 0x000001D69152F890, 8 bytes long.
Data: <`ºU‘Ö > 60 BA 55 91 D6 01 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001D691531E50, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001D691527160, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x000001D691536F70, 16 bytes long.
Data: < wS‘Ö > 18 77 53 91 D6 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001D691536FC0, 16 bytes long.
Data: <ðvS‘Ö > F0 76 53 91 D6 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001D691530F60, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x000001D6915367A0, 16 bytes long.
Data: <ÈvS‘Ö > C8 76 53 91 D6 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001D691536C50, 16 bytes long.
Data: < vS‘Ö > A0 76 53 91 D6 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001D691537010, 16 bytes long.
Data: <xvS‘Ö > 78 76 53 91 D6 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001D691536AC0, 16 bytes long.
Data: <PvS‘Ö > 50 76 53 91 D6 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001D691536090, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x000001D691536840, 16 bytes long.
Data: < ôR‘Ö > 08 F4 52 91 D6 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001D691530780, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x000001D691536980, 16 bytes long.
Data: <àóR‘Ö > E0 F3 52 91 D6 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001D691537240, 16 bytes long.
Data: <¸óR‘Ö > B8 F3 52 91 D6 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001D691536F20, 16 bytes long.
Data: < óR‘Ö > 90 F3 52 91 D6 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001D6915371F0, 16 bytes long.
Data: <hóR‘Ö > 68 F3 52 91 D6 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001D691536C00, 16 bytes long.
Data: <@óR‘Ö > 40 F3 52 91 D6 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001D6915370B0, 16 bytes long.
Data: < óR‘Ö > 18 F3 52 91 D6 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001D691530AE0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x000001D691536A70, 16 bytes long.
Data: <ðòR‘Ö > F0 F2 52 91 D6 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001D69152F2F0, 320 bytes long.
Data: <pjS‘Ö à S‘Ö > 70 6A 53 91 D6 01 00 00 E0 0A 53 91 D6 01 00 00
{277} normal block at 0x000001D691536CF0, 16 bytes long.
Data: <0vS‘Ö > 30 76 53 91 D6 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001D691536E30, 16 bytes long.
Data: < vS‘Ö > 08 76 53 91 D6 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001D691531500, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x000001D691536930, 16 bytes long.
Data: <àuS‘Ö > E0 75 53 91 D6 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001D691530840, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x000001D691536700, 16 bytes long.
Data: <(uS‘Ö > 28 75 53 91 D6 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001D6915367F0, 16 bytes long.
Data: < uS‘Ö > 00 75 53 91 D6 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001D691537380, 16 bytes long.
Data: <ØtS‘Ö > D8 74 53 91 D6 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001D691536A20, 16 bytes long.
Data: <°tS‘Ö > B0 74 53 91 D6 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001D6915371A0, 16 bytes long.
Data: < tS‘Ö > 88 74 53 91 D6 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001D691536480, 16 bytes long.
Data: <`tS‘Ö > 60 74 53 91 D6 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001D691537150, 16 bytes long.
Data: <P[S‘Ö > 50 5B 53 91 D6 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001D691535B50, 40 bytes long.
Data: <PqS‘Ö ¡ “Ö > 50 71 53 91 D6 01 00 00 10 A1 1B 93 D6 01 00 00
{263} normal block at 0x000001D6915369D0, 16 bytes long.
Data: <@tS‘Ö > 40 74 53 91 D6 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001D691537100, 16 bytes long.
Data: < tS‘Ö > 18 74 53 91 D6 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001D691531440, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x000001D691536BB0, 16 bytes long.
Data: <ðsS‘Ö > F0 73 53 91 D6 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001D6915373F0, 992 bytes long.
Data: <°kS‘Ö @ S‘Ö > B0 6B 53 91 D6 01 00 00 40 14 53 91 D6 01 00 00
{95} normal block at 0x000001D691531140, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x000001D691530290, 16 bytes long.
Data: <PçQ‘Ö > 50 E7 51 91 D6 01 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x000001D69151E750, 40 bytes long.
Data: < S‘Ö @ S‘Ö > 90 02 53 91 D6 01 00 00 40 11 53 91 D6 01 00 00
{72} normal block at 0x000001D69152FE30, 16 bytes long.
Data: < ê–Ãö > 80 EA 96 C3 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001D69152F6B0, 16 bytes long.
Data: <@é–Ãö > 40 E9 96 C3 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001D691530010, 16 bytes long.
Data: <øW“Ãö > F8 57 93 C3 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001D69152FED0, 16 bytes long.
Data: <ØW“Ãö > D8 57 93 C3 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001D69152F9D0, 16 bytes long.
Data: <P “Ãö > 50 04 93 C3 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001D69152F930, 16 bytes long.
Data: <0 “Ãö > 30 04 93 C3 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001D69152FAC0, 16 bytes long.
Data: <à “Ãö > E0 02 93 C3 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001D691530600, 16 bytes long.
Data: < “Ãö > 10 04 93 C3 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001D69152FF20, 16 bytes long.
Data: <p “Ãö > 70 04 93 C3 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001D6915305B0, 16 bytes long.
Data: < À‘Ãö > 18 C0 91 C3 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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