Task 38699231
| Name | test_868-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND6118_1 |
| Workunit | 31633193 |
| Created | 3 Nov 2026, 20:46:57 UTC |
| Sent | 3 Nov 2026, 20:47:00 UTC |
| Report deadline | 8 Nov 2026, 20:47:00 UTC |
| Received | 3 Nov 2026, 21:33:03 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 638240 |
| Run time | 39 min 46 sec |
| CPU time | 39 min 46 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 15,210.02 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 750.26 MB |
| Peak swap size | 12.91 GB |
| Peak disk usage | 4.06 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:53:46 (22208): wrapper (7.9.26016): starting
12:53:46 (22208): 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
12:53:47 (22208): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:53:47 (22208): 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\36\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\36\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
13:32:41 (22208): C:/Windows/system32/cmd.exe exited; CPU time 2386.687500
13:32:41 (22208): 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: 37791359 bytes.
Dumping objects ->
{3835553} normal block at 0x000001E6BD244060, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835542} normal block at 0x000001E6BD243FF0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835531} normal block at 0x000001E6BD2446F0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835520} normal block at 0x000001E6BD244680, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835509} normal block at 0x000001E6BD244300, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835478} normal block at 0x000001E6BF089C00, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835467} normal block at 0x000001E6BF09D7E0, 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) : {3835464} normal block at 0x000001E6BD23E5E0, 8 bytes long.
Data: < ‘½æ > 00 00 91 BD E6 01 00 00
{3834683} normal block at 0x000001E6BF09E0D0, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833955} normal block at 0x000001E6BD23E0E0, 8 bytes long.
Data: <Pë1½æ > 50 EB 31 BD E6 01 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001E6BD240510, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001E6BD235A80, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{293} normal block at 0x000001E6BD244CD0, 16 bytes long.
Data: < \$½æ > 98 5C 24 BD E6 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001E6BD245220, 16 bytes long.
Data: <p\$½æ > 70 5C 24 BD E6 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001E6BD23F120, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{290} normal block at 0x000001E6BD244B90, 16 bytes long.
Data: <H\$½æ > 48 5C 24 BD E6 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001E6BD2452C0, 16 bytes long.
Data: < \$½æ > 20 5C 24 BD E6 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001E6BD244E10, 16 bytes long.
Data: <ø[$½æ > F8 5B 24 BD E6 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001E6BD244A00, 16 bytes long.
Data: <Ð[$½æ > D0 5B 24 BD E6 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001E6BD2443E0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{285} normal block at 0x000001E6BD244D70, 16 bytes long.
Data: <H†#½æ > 48 86 23 BD E6 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001E6BD23F840, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{283} normal block at 0x000001E6BD244B40, 16 bytes long.
Data: < †#½æ > 20 86 23 BD E6 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001E6BD244AF0, 16 bytes long.
Data: <ø…#½æ > F8 85 23 BD E6 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001E6BD2454F0, 16 bytes long.
Data: <Ð…#½æ > D0 85 23 BD E6 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001E6BD2458B0, 16 bytes long.
Data: <¨…#½æ > A8 85 23 BD E6 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001E6BD245720, 16 bytes long.
Data: < …#½æ > 80 85 23 BD E6 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001E6BD245810, 16 bytes long.
Data: <X…#½æ > 58 85 23 BD E6 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001E6BD23F0C0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{275} normal block at 0x000001E6BD244C80, 16 bytes long.
Data: <0…#½æ > 30 85 23 BD E6 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001E6BD238530, 320 bytes long.
Data: < L$½æ Àð#½æ > 80 4C 24 BD E6 01 00 00 C0 F0 23 BD E6 01 00 00
{273} normal block at 0x000001E6BD2450E0, 16 bytes long.
Data: <°[$½æ > B0 5B 24 BD E6 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001E6BD2449B0, 16 bytes long.
Data: < [$½æ > 88 5B 24 BD E6 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001E6BD23EDC0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{270} normal block at 0x000001E6BD245590, 16 bytes long.
Data: <`[$½æ > 60 5B 24 BD E6 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001E6BD23F720, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{268} normal block at 0x000001E6BD244E60, 16 bytes long.
Data: <¨Z$½æ > A8 5A 24 BD E6 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001E6BD244C30, 16 bytes long.
Data: < Z$½æ > 80 5A 24 BD E6 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001E6BD244D20, 16 bytes long.
Data: <XZ$½æ > 58 5A 24 BD E6 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001E6BD2457C0, 16 bytes long.
Data: <0Z$½æ > 30 5A 24 BD E6 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001E6BD2456D0, 16 bytes long.
Data: < Z$½æ > 08 5A 24 BD E6 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001E6BD245680, 16 bytes long.
Data: <àY$½æ > E0 59 24 BD E6 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001E6BD245860, 16 bytes long.
Data: <ÀD$½æ > C0 44 24 BD E6 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001E6BD2444C0, 40 bytes long.
Data: <`X$½æ œ ¿æ > 60 58 24 BD E6 01 00 00 00 9C 08 BF E6 01 00 00
{259} normal block at 0x000001E6BD244A50, 16 bytes long.
Data: <ÀY$½æ > C0 59 24 BD E6 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001E6BD245770, 16 bytes long.
Data: < Y$½æ > 98 59 24 BD E6 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001E6BD23F360, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{256} normal block at 0x000001E6BD2453B0, 16 bytes long.
Data: <pY$½æ > 70 59 24 BD E6 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001E6BD245970, 992 bytes long.
Data: <°S$½æ `ó#½æ > B0 53 24 BD E6 01 00 00 60 F3 23 BD E6 01 00 00
{91} normal block at 0x000001E6BD23F660, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{90} normal block at 0x000001E6BD23E860, 16 bytes long.
Data: < î"½æ > 90 EE 22 BD E6 01 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x000001E6BD22EE90, 40 bytes long.
Data: <`è#½æ `ö#½æ > 60 E8 23 BD E6 01 00 00 60 F6 23 BD E6 01 00 00
{68} normal block at 0x000001E6BD23E090, 16 bytes long.
Data: < ê&Ýö > 80 EA 26 DD F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001E6BD23DFF0, 16 bytes long.
Data: <@é&Ýö > 40 E9 26 DD F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001E6BD23E9A0, 16 bytes long.
Data: <øW#Ýö > F8 57 23 DD F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001E6BD23E770, 16 bytes long.
Data: <ØW#Ýö > D8 57 23 DD F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001E6BD23E9F0, 16 bytes long.
Data: <P #Ýö > 50 04 23 DD F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001E6BD23EB80, 16 bytes long.
Data: <0 #Ýö > 30 04 23 DD F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001E6BD23E590, 16 bytes long.
Data: <à #Ýö > E0 02 23 DD F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001E6BD23E540, 16 bytes long.
Data: < #Ýö > 10 04 23 DD F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001E6BD23E4F0, 16 bytes long.
Data: <p #Ýö > 70 04 23 DD F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001E6BD23E810, 16 bytes long.
Data: < À!Ýö > 18 C0 21 DD F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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