Task 38685276
| Name | test_501-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND2082_0 |
| Workunit | 31626751 |
| Created | 27 Oct 2026, 20:17:39 UTC |
| Sent | 27 Oct 2026, 20:17:41 UTC |
| Report deadline | 1 Nov 2026, 20:17:41 UTC |
| Received | 27 Oct 2026, 22:56:35 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654622 |
| Run time | 57 min 25 sec |
| CPU time | 41 min 2 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 12,353.06 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 705.61 MB |
| Peak swap size | 6.85 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
05:17:42 (6880): wrapper (7.9.26016): starting
05:17:42 (6880): 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
05:17:43 (6880): Library/usr/bin/tar.exe exited; CPU time 0.015625
05:17:43 (6880): 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\16\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\16\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
06:13:16 (6880): C:/Windows/system32/cmd.exe exited; CPU time 2462.843750
06:13:16 (6880): 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: 70139187 bytes.
Dumping objects ->
{3835293} normal block at 0x000001E8AF76C3B0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835282} normal block at 0x000001E8AF76CFF0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835271} normal block at 0x000001E8AD7A4E70, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835260} normal block at 0x000001E8AD7A4E00, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835249} normal block at 0x000001E8AD7A4F50, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835218} normal block at 0x000001E8AF7B96C0, 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) : {3835205} normal block at 0x000001E8AD79FFA0, 8 bytes long.
Data: < > 00 00 BE AD E8 01 00 00
{3834057} normal block at 0x000001E8AD79FF00, 8 bytes long.
Data: <@Cz > 40 43 7A AD E8 01 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001E8AD7A0B50, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001E8AD796950, 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 0x000001E8AD7A6410, 16 bytes long.
Data: < iz > D8 69 7A AD E8 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001E8AD7A5BF0, 16 bytes long.
Data: < iz > B0 69 7A AD E8 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001E8AD79EA50, 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 0x000001E8AD7A6140, 16 bytes long.
Data: < iz > 88 69 7A AD E8 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001E8AD7A5EC0, 16 bytes long.
Data: <`iz > 60 69 7A AD E8 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001E8AD7A6640, 16 bytes long.
Data: <8iz > 38 69 7A AD E8 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001E8AD7A61E0, 16 bytes long.
Data: < iz > 10 69 7A AD E8 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001E8AD7A4930, 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 0x000001E8AD7A6050, 16 bytes long.
Data: < y > E8 E7 79 AD E8 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001E8AD79F350, 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 0x000001E8AD7A60A0, 16 bytes long.
Data: < y > C0 E7 79 AD E8 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001E8AD7A6190, 16 bytes long.
Data: < y > 98 E7 79 AD E8 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001E8AD7A5F60, 16 bytes long.
Data: <p y > 70 E7 79 AD E8 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001E8AD7A57E0, 16 bytes long.
Data: <H y > 48 E7 79 AD E8 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001E8AD7A60F0, 16 bytes long.
Data: < y > 20 E7 79 AD E8 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001E8AD7A5AB0, 16 bytes long.
Data: < y > F8 E6 79 AD E8 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001E8AD79EFF0, 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 0x000001E8AD7A5C40, 16 bytes long.
Data: < y > D0 E6 79 AD E8 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001E8AD79E6D0, 320 bytes long.
Data: <@\z y > 40 5C 7A AD E8 01 00 00 F0 EF 79 AD E8 01 00 00
{276} normal block at 0x000001E8AD7A6500, 16 bytes long.
Data: < hz > F0 68 7A AD E8 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001E8AD7A56F0, 16 bytes long.
Data: < hz > C8 68 7A AD E8 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001E8AD79EF30, 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 0x000001E8AD7A5D30, 16 bytes long.
Data: < hz > A0 68 7A AD E8 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001E8AD79EF90, 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 0x000001E8AD7A64B0, 16 bytes long.
Data: < gz > E8 67 7A AD E8 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001E8AD7A5B50, 16 bytes long.
Data: < gz > C0 67 7A AD E8 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001E8AD7A5CE0, 16 bytes long.
Data: < gz > 98 67 7A AD E8 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001E8AD7A6280, 16 bytes long.
Data: <pgz > 70 67 7A AD E8 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001E8AD7A5C90, 16 bytes long.
Data: <Hgz > 48 67 7A AD E8 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001E8AD7A6000, 16 bytes long.
Data: < gz > 20 67 7A AD E8 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001E8AD7A5790, 16 bytes long.
Data: <`Kz > 60 4B 7A AD E8 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001E8AD7A4B60, 40 bytes long.
Data: < Wz { > 90 57 7A AD E8 01 00 00 C0 96 7B AF E8 01 00 00
{262} normal block at 0x000001E8AD7A5FB0, 16 bytes long.
Data: < gz > 00 67 7A AD E8 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001E8AD7A6550, 16 bytes long.
Data: < fz > D8 66 7A AD E8 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001E8AD79F7D0, 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 0x000001E8AD7A5A60, 16 bytes long.
Data: < fz > B0 66 7A AD E8 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001E8AD7A66B0, 992 bytes long.
Data: <`Zz y > 60 5A 7A AD E8 01 00 00 D0 F7 79 AD E8 01 00 00
{94} normal block at 0x000001E8AD79F0B0, 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 0x000001E8AD79FD20, 16 bytes long.
Data: <` x > 60 E1 78 AD E8 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000001E8AD78E160, 40 bytes long.
Data: < y y > 20 FD 79 AD E8 01 00 00 B0 F0 79 AD E8 01 00 00
{69} normal block at 0x000001E8AD7A02C0, 16 bytes long.
Data: < mt > 80 EA 6D 74 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001E8AD7A0810, 16 bytes long.
Data: <@ mt > 40 E9 6D 74 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001E8AD79FBE0, 16 bytes long.
Data: < Wjt > F8 57 6A 74 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001E8AD79FCD0, 16 bytes long.
Data: < Wjt > D8 57 6A 74 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001E8AD7A0360, 16 bytes long.
Data: <P jt > 50 04 6A 74 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001E8AD7A0400, 16 bytes long.
Data: <0 jt > 30 04 6A 74 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001E8AD7A06D0, 16 bytes long.
Data: < jt > E0 02 6A 74 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001E8AD79FEB0, 16 bytes long.
Data: < jt > 10 04 6A 74 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001E8AD79FA50, 16 bytes long.
Data: <p jt > 70 04 6A 74 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001E8AD7A0270, 16 bytes long.
Data: < ht > 18 C0 68 74 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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