Task 38682965
| Name | test_55-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND9258_0 |
| Workunit | 31624556 |
| Created | 27 Oct 2026, 9:52:56 UTC |
| Sent | 27 Oct 2026, 9:53:04 UTC |
| Report deadline | 1 Nov 2026, 9:53:04 UTC |
| Received | 27 Oct 2026, 10:32:31 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 638094 |
| Run time | 22 min 8 sec |
| CPU time | 21 min 5 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 41,014.83 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 741.95 MB |
| Peak swap size | 12.99 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
21:10:43 (28096): wrapper (7.9.26016): starting
21:10:43 (28096): 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
21:10:44 (28096): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:10:44 (28096): 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\34\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\34\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
21:31:58 (28096): C:/Windows/system32/cmd.exe exited; CPU time 1265.250000
21:31:58 (28096): 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: 23452179 bytes.
Dumping objects ->
{3835652} normal block at 0x000001D3EA9DCDD0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835641} normal block at 0x000001D3EA9DD4D0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835630} normal block at 0x000001D3E8CF4590, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835619} normal block at 0x000001D3E8CF4B40, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835608} normal block at 0x000001D3E8CF4AD0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835577} normal block at 0x000001D3EAA279C0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835566} normal block at 0x000001D3EAA3EBC0, 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) : {3835563} normal block at 0x000001D3E8CEEF30, 8 bytes long.
Data: < (éÓ > 00 00 28 E9 D3 01 00 00
{3834735} normal block at 0x000001D3EAA3E640, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833971} normal block at 0x000001D3E8CEEEE0, 8 bytes long.
Data: <`ë“êÓ > 60 EB 93 EA D3 01 00 00
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000001D3E8CF1610, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x000001D3E8CE0C60, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{301} normal block at 0x000001D3E8CF55C0, 16 bytes long.
Data: <¨cÏèÓ > A8 63 CF E8 D3 01 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001D3E8CF5DE0, 16 bytes long.
Data: < cÏèÓ > 80 63 CF E8 D3 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001D3E8CEDC40, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{298} normal block at 0x000001D3E8CF5570, 16 bytes long.
Data: <XcÏèÓ > 58 63 CF E8 D3 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001D3E8CF5F70, 16 bytes long.
Data: <0cÏèÓ > 30 63 CF E8 D3 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001D3E8CF57F0, 16 bytes long.
Data: < cÏèÓ > 08 63 CF E8 D3 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001D3E8CF5BB0, 16 bytes long.
Data: <àbÏèÓ > E0 62 CF E8 D3 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001D3E8CF4600, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{293} normal block at 0x000001D3E8CF5F20, 16 bytes long.
Data: <H ÎèÓ > 48 8F CE E8 D3 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001D3E8CED7C0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{291} normal block at 0x000001D3E8CF50C0, 16 bytes long.
Data: < ÎèÓ > 20 8F CE E8 D3 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001D3E8CF59D0, 16 bytes long.
Data: <øŽÎèÓ > F8 8E CE E8 D3 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001D3E8CF57A0, 16 bytes long.
Data: <ÐŽÎèÓ > D0 8E CE E8 D3 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001D3E8CF5D90, 16 bytes long.
Data: <¨ŽÎèÓ > A8 8E CE E8 D3 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001D3E8CF54D0, 16 bytes long.
Data: < ŽÎèÓ > 80 8E CE E8 D3 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001D3E8CF5700, 16 bytes long.
Data: <XŽÎèÓ > 58 8E CE E8 D3 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001D3E8CEDB80, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{283} normal block at 0x000001D3E8CF5B60, 16 bytes long.
Data: <0ŽÎèÓ > 30 8E CE E8 D3 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001D3E8CE8E30, 320 bytes long.
Data: <`[ÏèÓ ÛÎèÓ > 60 5B CF E8 D3 01 00 00 80 DB CE E8 D3 01 00 00
{281} normal block at 0x000001D3E8CF5E80, 16 bytes long.
Data: <ÀbÏèÓ > C0 62 CF E8 D3 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001D3E8CF5980, 16 bytes long.
Data: < bÏèÓ > 98 62 CF E8 D3 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001D3E8CED3A0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{278} normal block at 0x000001D3E8CF5930, 16 bytes long.
Data: <pbÏèÓ > 70 62 CF E8 D3 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001D3E8CEDEE0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{276} normal block at 0x000001D3E8CF5AC0, 16 bytes long.
Data: <¸aÏèÓ > B8 61 CF E8 D3 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001D3E8CF5390, 16 bytes long.
Data: < aÏèÓ > 90 61 CF E8 D3 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001D3E8CF58E0, 16 bytes long.
Data: <haÏèÓ > 68 61 CF E8 D3 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001D3E8CF56B0, 16 bytes long.
Data: <@aÏèÓ > 40 61 CF E8 D3 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001D3E8CF5480, 16 bytes long.
Data: < aÏèÓ > 18 61 CF E8 D3 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001D3E8CF5B10, 16 bytes long.
Data: <ð`ÏèÓ > F0 60 CF E8 D3 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001D3E8CF5660, 16 bytes long.
Data: < HÏèÓ > A0 48 CF E8 D3 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001D3E8CF48A0, 40 bytes long.
Data: <`VÏèÓ Ày¢êÓ > 60 56 CF E8 D3 01 00 00 C0 79 A2 EA D3 01 00 00
{267} normal block at 0x000001D3E8CF5520, 16 bytes long.
Data: <Ð`ÏèÓ > D0 60 CF E8 D3 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001D3E8CF53E0, 16 bytes long.
Data: <¨`ÏèÓ > A8 60 CF E8 D3 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001D3E8CEDE80, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{264} normal block at 0x000001D3E8CF5340, 16 bytes long.
Data: < `ÏèÓ > 80 60 CF E8 D3 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001D3E8CF6080, 992 bytes long.
Data: <@SÏèÓ ÞÎèÓ > 40 53 CF E8 D3 01 00 00 80 DE CE E8 D3 01 00 00
{99} normal block at 0x000001D3E8CED280, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{98} normal block at 0x000001D3E8CEF0C0, 16 bytes long.
Data: < ÄÍèÓ > 10 C4 CD E8 D3 01 00 00 00 00 00 00 00 00 00 00
{97} normal block at 0x000001D3E8CDC410, 40 bytes long.
Data: <ÀðÎèÓ ÒÎèÓ > C0 F0 CE E8 D3 01 00 00 80 D2 CE E8 D3 01 00 00
{76} normal block at 0x000001D3E8CEEDA0, 16 bytes long.
Data: < ê ÷ > 80 EA 13 80 F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x000001D3E8CEE990, 16 bytes long.
Data: <@é ÷ > 40 E9 13 80 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000001D3E8CEF2F0, 16 bytes long.
Data: <øW ÷ > F8 57 10 80 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001D3E8CEEB20, 16 bytes long.
Data: <ØW ÷ > D8 57 10 80 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001D3E8CEF390, 16 bytes long.
Data: <P ÷ > 50 04 10 80 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001D3E8CEED00, 16 bytes long.
Data: <0 ÷ > 30 04 10 80 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001D3E8CEEC10, 16 bytes long.
Data: <à ÷ > E0 02 10 80 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001D3E8CEF570, 16 bytes long.
Data: < ÷ > 10 04 10 80 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001D3E8CEF520, 16 bytes long.
Data: <p ÷ > 70 04 10 80 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001D3E8CEECB0, 16 bytes long.
Data: < À ÷ > 18 C0 0E 80 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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