Task 38683456
| Name | test_282-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND5585_0 |
| Workunit | 31625011 |
| Created | 27 Oct 2026, 11:53:29 UTC |
| Sent | 27 Oct 2026, 11:53:34 UTC |
| Report deadline | 1 Nov 2026, 11:53:34 UTC |
| Received | 27 Oct 2026, 12:23:45 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 648742 |
| Run time | 29 min 41 sec |
| CPU time | 25 min 51 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 17,844.26 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 770.50 MB |
| Peak swap size | 12.98 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:54:39 (23108): wrapper (7.9.26016): starting
12:54:39 (23108): 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
12:54:41 (23108): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:54:41 (23108): 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
13:23:25 (23108): C:/Windows/system32/cmd.exe exited; CPU time 1551.031250
13:23:25 (23108): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 29570087 bytes.
Dumping objects ->
{3835449} normal block at 0x00000187E75E7610, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835438} normal block at 0x00000187E75E75A0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835427} normal block at 0x00000187E75E73E0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835416} normal block at 0x00000187E75E7370, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835405} normal block at 0x00000187E75E7300, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835374} normal block at 0x00000187E9287E50, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835363} normal block at 0x00000187E92A0FB0, 102 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) : {3835360} normal block at 0x00000187E75DFB00, 8 bytes long.
Data: < Wç‡ > 00 00 57 E7 87 01 00 00
{3834646} normal block at 0x00000187E92A11C0, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833957} normal block at 0x00000187E75DF740, 8 bytes long.
Data: <Pikç‡ > 50 69 6B E7 87 01 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000187E75E2F00, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000187E75CEFB0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x00000187E75E8790, 16 bytes long.
Data: <8 ^ç‡ > 38 8F 5E E7 87 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000187E75E86A0, 16 bytes long.
Data: < ^ç‡ > 10 8F 5E E7 87 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000187E75E0FD0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x00000187E75E81F0, 16 bytes long.
Data: <èŽ^ç‡ > E8 8E 5E E7 87 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000187E75E8470, 16 bytes long.
Data: <ÀŽ^ç‡ > C0 8E 5E E7 87 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000187E75E85B0, 16 bytes long.
Data: < Ž^ç‡ > 98 8E 5E E7 87 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000187E75E8420, 16 bytes long.
Data: <pŽ^ç‡ > 70 8E 5E E7 87 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000187E75E7840, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x00000187E75E7FC0, 16 bytes long.
Data: <(¸\ç‡ > 28 B8 5C E7 87 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000187E75E1C30, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x00000187E75E8010, 16 bytes long.
Data: < ¸\ç‡ > 00 B8 5C E7 87 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000187E75E8150, 16 bytes long.
Data: <Ø·\ç‡ > D8 B7 5C E7 87 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000187E75E8740, 16 bytes long.
Data: <°·\ç‡ > B0 B7 5C E7 87 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000187E75E8880, 16 bytes long.
Data: < ·\ç‡ > 88 B7 5C E7 87 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000187E75E8A60, 16 bytes long.
Data: <`·\ç‡ > 60 B7 5C E7 87 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000187E75E7F20, 16 bytes long.
Data: <8·\ç‡ > 38 B7 5C E7 87 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000187E75E1270, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x00000187E75E8560, 16 bytes long.
Data: < ·\ç‡ > 10 B7 5C E7 87 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000187E75CB710, 320 bytes long.
Data: <`…^ç‡ p ^ç‡ > 60 85 5E E7 87 01 00 00 70 12 5E E7 87 01 00 00
{274} normal block at 0x00000187E75E8330, 16 bytes long.
Data: <PŽ^ç‡ > 50 8E 5E E7 87 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000187E75E7ED0, 16 bytes long.
Data: <(Ž^ç‡ > 28 8E 5E E7 87 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000187E75E1570, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x00000187E75E7E80, 16 bytes long.
Data: < Ž^ç‡ > 00 8E 5E E7 87 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000187E75E11B0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x00000187E75E8380, 16 bytes long.
Data: <H ^ç‡ > 48 8D 5E E7 87 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000187E75E8100, 16 bytes long.
Data: < ^ç‡ > 20 8D 5E E7 87 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000187E75E7E30, 16 bytes long.
Data: <øŒ^ç‡ > F8 8C 5E E7 87 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000187E75E86F0, 16 bytes long.
Data: <ÐŒ^ç‡ > D0 8C 5E E7 87 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000187E75E8650, 16 bytes long.
Data: <¨Œ^ç‡ > A8 8C 5E E7 87 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000187E75E88D0, 16 bytes long.
Data: < Œ^ç‡ > 80 8C 5E E7 87 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000187E75E83D0, 16 bytes long.
Data: <`w^ç‡ > 60 77 5E E7 87 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000187E75E7760, 40 bytes long.
Data: <Ѓ^ç‡ P~(é‡ > D0 83 5E E7 87 01 00 00 50 7E 28 E9 87 01 00 00
{260} normal block at 0x00000187E75E8B50, 16 bytes long.
Data: <`Œ^ç‡ > 60 8C 5E E7 87 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000187E75E7DE0, 16 bytes long.
Data: <8Œ^ç‡ > 38 8C 5E E7 87 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000187E75E1D50, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x00000187E75E81A0, 16 bytes long.
Data: < Œ^ç‡ > 10 8C 5E E7 87 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000187E75E8C10, 992 bytes long.
Data: <  ^ç‡ P ^ç‡ > A0 81 5E E7 87 01 00 00 50 1D 5E E7 87 01 00 00
{92} normal block at 0x00000187E75E1150, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x00000187E75DF420, 16 bytes long.
Data: < É\ç‡ > 90 C9 5C E7 87 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x00000187E75CC990, 40 bytes long.
Data: < ô]ç‡ P ^ç‡ > 20 F4 5D E7 87 01 00 00 50 11 5E E7 87 01 00 00
{69} normal block at 0x00000187E75DF380, 16 bytes long.
Data: < êV¨ö > 80 EA 56 A8 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000187E75DFA10, 16 bytes long.
Data: <@éV¨ö > 40 E9 56 A8 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000187E75DF9C0, 16 bytes long.
Data: <øWS¨ö > F8 57 53 A8 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000187E75E00F0, 16 bytes long.
Data: <ØWS¨ö > D8 57 53 A8 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000187E75DF5B0, 16 bytes long.
Data: <P S¨ö > 50 04 53 A8 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000187E75DFAB0, 16 bytes long.
Data: <0 S¨ö > 30 04 53 A8 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000187E75DFF10, 16 bytes long.
Data: <à S¨ö > E0 02 53 A8 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000187E75DFC90, 16 bytes long.
Data: < S¨ö > 10 04 53 A8 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000187E75DF290, 16 bytes long.
Data: <p S¨ö > 70 04 53 A8 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000187E75DFEC0, 16 bytes long.
Data: < ÀQ¨ö > 18 C0 51 A8 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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