Task 38686380
| Name | test_624-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND0684_0 |
| Workunit | 31627814 |
| Created | 28 Oct 2026, 2:12:37 UTC |
| Sent | 28 Oct 2026, 2:12:43 UTC |
| Report deadline | 2 Nov 2026, 2:12:43 UTC |
| Received | 28 Oct 2026, 15:06:58 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654379 |
| Run time | 33 min 47 sec |
| CPU time | 32 min 8 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 33,165.87 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 698.43 MB |
| Peak swap size | 13.01 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:33:25 (40548): wrapper (7.9.26016): starting
07:33:25 (40548): 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
07:33:27 (40548): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:33:27 (40548): 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\18\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\18\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
08:05:58 (40548): C:/Windows/system32/cmd.exe exited; CPU time 1928.906250
08:05:58 (40548): 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: 51312923 bytes.
Dumping objects ->
{3835262} normal block at 0x0000019643A6A340, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835251} normal block at 0x0000019643A6AD50, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835240} normal block at 0x0000019643A6AB20, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835229} normal block at 0x0000019643A6A6C0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835218} normal block at 0x0000019643A6A880, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835187} normal block at 0x0000019643A0D880, 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) : {3835174} normal block at 0x0000019641D2F050, 8 bytes long.
Data: < B– > 00 00 12 42 96 01 00 00
{3833969} normal block at 0x0000019641D2FB90, 8 bytes long.
Data: < 8®C– > 20 38 AE 43 96 01 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000019641D2D640, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x0000019641D1EDA0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{300} normal block at 0x0000019641D36400, 16 bytes long.
Data: <xiÓA– > 78 69 D3 41 96 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000019641D364F0, 16 bytes long.
Data: <PiÓA– > 50 69 D3 41 96 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000019641D304E0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{297} normal block at 0x0000019641D36590, 16 bytes long.
Data: <(iÓA– > 28 69 D3 41 96 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000019641D35960, 16 bytes long.
Data: < iÓA– > 00 69 D3 41 96 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000019641D364A0, 16 bytes long.
Data: <ØhÓA– > D8 68 D3 41 96 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000019641D35FA0, 16 bytes long.
Data: <°hÓA– > B0 68 D3 41 96 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000019641D33CE0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{292} normal block at 0x0000019641D35F50, 16 bytes long.
Data: <x ÒA– > 78 90 D2 41 96 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000019641D30660, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{290} normal block at 0x0000019641D363B0, 16 bytes long.
Data: <P ÒA– > 50 90 D2 41 96 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000019641D35D20, 16 bytes long.
Data: <( ÒA– > 28 90 D2 41 96 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000019641D36540, 16 bytes long.
Data: < ÒA– > 00 90 D2 41 96 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000019641D35870, 16 bytes long.
Data: <Ø ÒA– > D8 8F D2 41 96 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000019641D35CD0, 16 bytes long.
Data: <° ÒA– > B0 8F D2 41 96 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000019641D35EB0, 16 bytes long.
Data: < ÒA– > 88 8F D2 41 96 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000019641D30CC0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{282} normal block at 0x0000019641D36180, 16 bytes long.
Data: <` ÒA– > 60 8F D2 41 96 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000019641D28F60, 320 bytes long.
Data: < aÓA– À ÓA– > 80 61 D3 41 96 01 00 00 C0 0C D3 41 96 01 00 00
{280} normal block at 0x0000019641D35820, 16 bytes long.
Data: < hÓA– > 90 68 D3 41 96 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000019641D36360, 16 bytes long.
Data: <hhÓA– > 68 68 D3 41 96 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000019641D30360, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{277} normal block at 0x0000019641D36310, 16 bytes long.
Data: <@hÓA– > 40 68 D3 41 96 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000019641D2FF40, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{275} normal block at 0x0000019641D36130, 16 bytes long.
Data: < gÓA– > 88 67 D3 41 96 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000019641D357D0, 16 bytes long.
Data: <`gÓA– > 60 67 D3 41 96 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000019641D35780, 16 bytes long.
Data: <8gÓA– > 38 67 D3 41 96 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000019641D360E0, 16 bytes long.
Data: < gÓA– > 10 67 D3 41 96 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000019641D35730, 16 bytes long.
Data: <èfÓA– > E8 66 D3 41 96 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000019641D35A50, 16 bytes long.
Data: <ÀfÓA– > C0 66 D3 41 96 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000019641D35E60, 16 bytes long.
Data: <0>ÓA– > 30 3E D3 41 96 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000019641D33E30, 40 bytes long.
Data: <`^ÓA– Ø C– > 60 5E D3 41 96 01 00 00 80 D8 A0 43 96 01 00 00
{266} normal block at 0x0000019641D365E0, 16 bytes long.
Data: < fÓA– > A0 66 D3 41 96 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000019641D359B0, 16 bytes long.
Data: <xfÓA– > 78 66 D3 41 96 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000019641D30240, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{263} normal block at 0x0000019641D35F00, 16 bytes long.
Data: <PfÓA– > 50 66 D3 41 96 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000019641D36650, 992 bytes long.
Data: < _ÓA– @ ÓA– > 00 5F D3 41 96 01 00 00 40 02 D3 41 96 01 00 00
{98} normal block at 0x0000019641D30420, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{97} normal block at 0x0000019641D2F910, 16 bytes long.
Data: <P=ÓA– > 50 3D D3 41 96 01 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x0000019641D33D50, 40 bytes long.
Data: < ùÒA– ÓA– > 10 F9 D2 41 96 01 00 00 20 04 D3 41 96 01 00 00
{75} normal block at 0x0000019641D2FAA0, 16 bytes long.
Data: < ê°A÷ > 80 EA B0 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x0000019641D2F820, 16 bytes long.
Data: <@é°A÷ > 40 E9 B0 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000019641D2EF10, 16 bytes long.
Data: <øW­A÷ > F8 57 AD 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000019641D2FB40, 16 bytes long.
Data: <ØW­A÷ > D8 57 AD 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000019641D2F7D0, 16 bytes long.
Data: <P ­A÷ > 50 04 AD 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000019641D2F550, 16 bytes long.
Data: <0 ­A÷ > 30 04 AD 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000019641D2F280, 16 bytes long.
Data: <à ­A÷ > E0 02 AD 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000019641D2F0F0, 16 bytes long.
Data: < ­A÷ > 10 04 AD 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000019641D2FD70, 16 bytes long.
Data: <p ­A÷ > 70 04 AD 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000019641D2F8C0, 16 bytes long.
Data: < À«A÷ > 18 C0 AB 41 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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