Task 38686944
| Name | test_18-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND6570_2 |
| Workunit | 31626708 |
| Created | 28 Oct 2026, 5:10:34 UTC |
| Sent | 28 Oct 2026, 5:10:43 UTC |
| Report deadline | 2 Nov 2026, 5:10:43 UTC |
| Received | 28 Oct 2026, 7:23:22 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 610900 |
| Run time | 58 min 30 sec |
| CPU time | 51 min 42 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 7,990.82 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 736.87 MB |
| Peak swap size | 9.91 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
02:23:40 (60864): wrapper (7.9.26016): starting
02:23:40 (60864): 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
02:23:47 (60864): Library/usr/bin/tar.exe exited; CPU time 0.031250
02:23:47 (60864): 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\0\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\0\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
03:21:45 (60864): C:/Windows/system32/cmd.exe exited; CPU time 3102.484375
03:21:45 (60864): 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: 82880297 bytes.
Dumping objects ->
{3835500} normal block at 0x000001FDC8E849E0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835489} normal block at 0x000001FDC8E84890, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835478} normal block at 0x000001FDC8E84AC0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835467} normal block at 0x000001FDC8E84C10, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835456} normal block at 0x000001FDC8E847B0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835425} normal block at 0x000001FDCAC05300, 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) : {3835412} normal block at 0x000001FDC8E7E8B0, 8 bytes long.
Data: < ãÈý > 00 00 E3 C8 FD 01 00 00
{3833959} normal block at 0x000001FDC8E7F5D0, 8 bytes long.
Data: < èõÈý > 90 E8 F5 C8 FD 01 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001FDC8E80C40, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001FDC8E767C0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x000001FDC8E852C0, 16 bytes long.
Data: <XeèÈý > 58 65 E8 C8 FD 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001FDC8E85900, 16 bytes long.
Data: <0eèÈý > 30 65 E8 C8 FD 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001FDC8E7FDF0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x000001FDC8E85270, 16 bytes long.
Data: < eèÈý > 08 65 E8 C8 FD 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001FDC8E85B80, 16 bytes long.
Data: <àdèÈý > E0 64 E8 C8 FD 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001FDC8E85EF0, 16 bytes long.
Data: <¸dèÈý > B8 64 E8 C8 FD 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001FDC8E85C70, 16 bytes long.
Data: < dèÈý > 90 64 E8 C8 FD 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001FDC8E84970, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x000001FDC8E85C20, 16 bytes long.
Data: <èåçÈý > E8 E5 E7 C8 FD 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001FDC8E80090, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x000001FDC8E85680, 16 bytes long.
Data: <ÀåçÈý > C0 E5 E7 C8 FD 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001FDC8E858B0, 16 bytes long.
Data: < åçÈý > 98 E5 E7 C8 FD 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001FDC8E85590, 16 bytes long.
Data: <påçÈý > 70 E5 E7 C8 FD 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001FDC8E85E00, 16 bytes long.
Data: <HåçÈý > 48 E5 E7 C8 FD 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001FDC8E853B0, 16 bytes long.
Data: < åçÈý > 20 E5 E7 C8 FD 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001FDC8E859F0, 16 bytes long.
Data: <øäçÈý > F8 E4 E7 C8 FD 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001FDC8E7FC70, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x000001FDC8E859A0, 16 bytes long.
Data: <ÐäçÈý > D0 E4 E7 C8 FD 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001FDC8E7E4D0, 320 bytes long.
Data: < YèÈý püçÈý > A0 59 E8 C8 FD 01 00 00 70 FC E7 C8 FD 01 00 00
{275} normal block at 0x000001FDC8E86170, 16 bytes long.
Data: <pdèÈý > 70 64 E8 C8 FD 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001FDC8E85DB0, 16 bytes long.
Data: <HdèÈý > 48 64 E8 C8 FD 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001FDC8E7F970, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x000001FDC8E85BD0, 16 bytes long.
Data: < dèÈý > 20 64 E8 C8 FD 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001FDC8E801B0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x000001FDC8E85A90, 16 bytes long.
Data: <hcèÈý > 68 63 E8 C8 FD 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001FDC8E85360, 16 bytes long.
Data: <@cèÈý > 40 63 E8 C8 FD 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001FDC8E85310, 16 bytes long.
Data: < cèÈý > 18 63 E8 C8 FD 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001FDC8E85D60, 16 bytes long.
Data: <ðbèÈý > F0 62 E8 C8 FD 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001FDC8E85630, 16 bytes long.
Data: <ÈbèÈý > C8 62 E8 C8 FD 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001FDC8E86120, 16 bytes long.
Data: < bèÈý > A0 62 E8 C8 FD 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001FDC8E85950, 16 bytes long.
Data: <ðLèÈý > F0 4C E8 C8 FD 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001FDC8E84CF0, 40 bytes long.
Data: <PYèÈý SÀÊý > 50 59 E8 C8 FD 01 00 00 00 53 C0 CA FD 01 00 00
{261} normal block at 0x000001FDC8E860D0, 16 bytes long.
Data: < bèÈý > 80 62 E8 C8 FD 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001FDC8E86080, 16 bytes long.
Data: <XbèÈý > 58 62 E8 C8 FD 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001FDC8E803F0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x000001FDC8E85540, 16 bytes long.
Data: <0bèÈý > 30 62 E8 C8 FD 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001FDC8E86230, 992 bytes long.
Data: <@UèÈý ð èÈý > 40 55 E8 C8 FD 01 00 00 F0 03 E8 C8 FD 01 00 00
{93} normal block at 0x000001FDC8E80390, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x000001FDC8E7E7C0, 16 bytes long.
Data: <ðãæÈý > F0 E3 E6 C8 FD 01 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x000001FDC8E6E3F0, 40 bytes long.
Data: <ÀççÈý èÈý > C0 E7 E7 C8 FD 01 00 00 90 03 E8 C8 FD 01 00 00
{70} normal block at 0x000001FDC8E7F260, 16 bytes long.
Data: < êËe÷ > 80 EA CB 65 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001FDC8E7F4E0, 16 bytes long.
Data: <@éËe÷ > 40 E9 CB 65 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001FDC8E7F580, 16 bytes long.
Data: <øWÈe÷ > F8 57 C8 65 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001FDC8E7F670, 16 bytes long.
Data: <ØWÈe÷ > D8 57 C8 65 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001FDC8E7F300, 16 bytes long.
Data: <P Èe÷ > 50 04 C8 65 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001FDC8E7F490, 16 bytes long.
Data: <0 Èe÷ > 30 04 C8 65 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001FDC8E7F0D0, 16 bytes long.
Data: <à Èe÷ > E0 02 C8 65 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001FDC8E7F080, 16 bytes long.
Data: < Èe÷ > 10 04 C8 65 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001FDC8E7F3A0, 16 bytes long.
Data: <p Èe÷ > 70 04 C8 65 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001FDC8E7F210, 16 bytes long.
Data: < ÀÆe÷ > 18 C0 C6 65 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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