Task 38669786
| Name | test_67-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND5890_0 |
| Workunit | 31612096 |
| Created | 25 Oct 2026, 15:33:55 UTC |
| Sent | 25 Oct 2026, 15:33:59 UTC |
| Report deadline | 30 Oct 2026, 15:33:59 UTC |
| Received | 25 Oct 2026, 17:33:12 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 598225 |
| Run time | 41 min 52 sec |
| CPU time | 39 min 15 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 10,947.62 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 716.58 MB |
| Peak swap size | 6.88 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
12:51:23 (205992): wrapper (7.9.26016): starting
12:51:23 (205992): 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
12:51:25 (205992): Library/usr/bin/tar.exe exited; CPU time 0.031250
12:51:25 (205992): 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\11\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\11\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
13:32:51 (205992): C:/Windows/system32/cmd.exe exited; CPU time 2355.171875
13:32:51 (205992): called boinc_finish(0)
0 bytes in 0 Free Blocks.
658 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: 43699203 bytes.
Dumping objects ->
{3835319} normal block at 0x000001FFE9CAD7D0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835308} normal block at 0x000001FFE80350A0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835297} normal block at 0x000001FFE8034E70, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835286} normal block at 0x000001FFE8034E00, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835275} normal block at 0x000001FFE8034A80, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835244} normal block at 0x000001FFE9CFBBB0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835233} normal block at 0x000001FFE802C230, 201 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) : {3835230} normal block at 0x000001FFE802E1F0, 8 bytes long.
Data: < Mèÿ > 00 00 4D E8 FF 01 00 00
{3834586} normal block at 0x000001FFE802ABE0, 201 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833961} normal block at 0x000001FFE802E1A0, 8 bytes long.
Data: <pCØéÿ > 70 43 D8 E9 FF 01 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001FFE80312B0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001FFE8026CC0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x000001FFE8035B10, 16 bytes long.
Data: <(k èÿ > 28 6B 03 E8 FF 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001FFE8036380, 16 bytes long.
Data: < k èÿ > 00 6B 03 E8 FF 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001FFE802FD60, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x000001FFE80360B0, 16 bytes long.
Data: <Øj èÿ > D8 6A 03 E8 FF 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001FFE8036650, 16 bytes long.
Data: <°j èÿ > B0 6A 03 E8 FF 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001FFE8036010, 16 bytes long.
Data: < j èÿ > 88 6A 03 E8 FF 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001FFE80361A0, 16 bytes long.
Data: <`j èÿ > 60 6A 03 E8 FF 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001FFE8034EE0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x000001FFE8036470, 16 bytes long.
Data: <Xè èÿ > 58 E8 01 E8 FF 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001FFE802FCA0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x000001FFE8035D90, 16 bytes long.
Data: <0è èÿ > 30 E8 01 E8 FF 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001FFE80363D0, 16 bytes long.
Data: < è èÿ > 08 E8 01 E8 FF 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001FFE8036740, 16 bytes long.
Data: <àç èÿ > E0 E7 01 E8 FF 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001FFE8035CA0, 16 bytes long.
Data: <¸ç èÿ > B8 E7 01 E8 FF 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001FFE8036510, 16 bytes long.
Data: < ç èÿ > 90 E7 01 E8 FF 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001FFE8035E80, 16 bytes long.
Data: <hç èÿ > 68 E7 01 E8 FF 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001FFE802F460, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x000001FFE8035AC0, 16 bytes long.
Data: <@ç èÿ > 40 E7 01 E8 FF 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001FFE801E740, 320 bytes long.
Data: <ÀZ èÿ `ô èÿ > C0 5A 03 E8 FF 01 00 00 60 F4 02 E8 FF 01 00 00
{276} normal block at 0x000001FFE80364C0, 16 bytes long.
Data: <@j èÿ > 40 6A 03 E8 FF 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001FFE8036240, 16 bytes long.
Data: < j èÿ > 18 6A 03 E8 FF 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001FFE802FA00, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x000001FFE8035FC0, 16 bytes long.
Data: <ði èÿ > F0 69 03 E8 FF 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001FFE802F2E0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x000001FFE8035930, 16 bytes long.
Data: <8i èÿ > 38 69 03 E8 FF 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001FFE8035F20, 16 bytes long.
Data: < i èÿ > 10 69 03 E8 FF 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001FFE8035D40, 16 bytes long.
Data: <èh èÿ > E8 68 03 E8 FF 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001FFE8035DE0, 16 bytes long.
Data: <Àh èÿ > C0 68 03 E8 FF 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001FFE8035A70, 16 bytes long.
Data: < h èÿ > 98 68 03 E8 FF 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001FFE8035890, 16 bytes long.
Data: <ph èÿ > 70 68 03 E8 FF 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001FFE8035840, 16 bytes long.
Data: < M èÿ > 90 4D 03 E8 FF 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001FFE8034D90, 40 bytes long.
Data: <@X èÿ °»Ïéÿ > 40 58 03 E8 FF 01 00 00 B0 BB CF E9 FF 01 00 00
{262} normal block at 0x000001FFE8035ED0, 16 bytes long.
Data: <Ph èÿ > 50 68 03 E8 FF 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001FFE80361F0, 16 bytes long.
Data: <(h èÿ > 28 68 03 E8 FF 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001FFE802F640, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x000001FFE80365B0, 16 bytes long.
Data: < h èÿ > 00 68 03 E8 FF 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001FFE8036800, 992 bytes long.
Data: <°e èÿ @ö èÿ > B0 65 03 E8 FF 01 00 00 40 F6 02 E8 FF 01 00 00
{94} normal block at 0x000001FFE802F400, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x000001FFE802DFC0, 16 bytes long.
Data: < ì èÿ > 10 EC 02 E8 FF 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000001FFE802EC10, 40 bytes long.
Data: <Àß èÿ ô èÿ > C0 DF 02 E8 FF 01 00 00 00 F4 02 E8 FF 01 00 00
{71} normal block at 0x000001FFE802DA20, 16 bytes long.
Data: < êööö > 80 EA F6 F6 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001FFE802DBB0, 16 bytes long.
Data: <@éööö > 40 E9 F6 F6 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001FFE802DC50, 16 bytes long.
Data: <øWóöö > F8 57 F3 F6 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001FFE802DE80, 16 bytes long.
Data: <ØWóöö > D8 57 F3 F6 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001FFE802DF20, 16 bytes long.
Data: <P óöö > 50 04 F3 F6 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001FFE802D9D0, 16 bytes long.
Data: <0 óöö > 30 04 F3 F6 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001FFE802D480, 16 bytes long.
Data: <à óöö > E0 02 F3 F6 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001FFE802E240, 16 bytes long.
Data: < óöö > 10 04 F3 F6 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001FFE802D930, 16 bytes long.
Data: <p óöö > 70 04 F3 F6 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001FFE802DD90, 16 bytes long.
Data: < Àñöö > 18 C0 F1 F6 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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