Task 38645632
| Name | test_259-GPUGRID_TEST_ATM_500_20261023-0-1-RND3544_0 |
| Workunit | 31590596 |
| Created | 23 Oct 2026, 16:09:04 UTC |
| Sent | 23 Oct 2026, 16:18:58 UTC |
| Report deadline | 28 Oct 2026, 16:18:58 UTC |
| Received | 23 Oct 2026, 19:44:22 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654491 |
| Run time | 1 hours 37 min 26 sec |
| CPU time | 1 hours 28 min 42 sec |
| Validate state | Valid |
| Credit | 1,000.00 |
| Device peak FLOPS | 21,377.06 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 726.75 MB |
| Peak swap size | 6.93 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:11:30 (9072): wrapper (7.9.26016): starting
03:11:30 (9072): 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
03:11:35 (9072): Library/usr/bin/tar.exe exited; CPU time 0.031250
03:11:35 (9072): 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\7\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\7\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
04:43:07 (9072): C:/Windows/system32/cmd.exe exited; CPU time 5322.734375
04:43:07 (9072): 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: 110840861 bytes.
Dumping objects ->
{3835610} normal block at 0x000001BE5C25D5E0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835599} normal block at 0x000001BE5C25DAB0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835588} normal block at 0x000001BE5C25DFF0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835577} normal block at 0x000001BE5C25DE30, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835566} normal block at 0x000001BE5A315A00, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835535} normal block at 0x000001BE5C2AC390, 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) : {3835522} normal block at 0x000001BE5A30E390, 8 bytes long.
Data: < .Z > 00 00 2E 5A BE 01 00 00
{3834083} normal block at 0x000001BE5A30E110, 8 bytes long.
Data: <`T0\ > 60 54 30 5C BE 01 00 00
..\zip\boinc_zip.cpp(122) : {318} normal block at 0x000001BE5A312950, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x000001BE5A3071B0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{302} normal block at 0x000001BE5A316C60, 16 bytes long.
Data: <xw1Z > 78 77 31 5A BE 01 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x000001BE5A316F80, 16 bytes long.
Data: <Pw1Z > 50 77 31 5A BE 01 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001BE5A3105E0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{299} normal block at 0x000001BE5A316A30, 16 bytes long.
Data: <(w1Z > 28 77 31 5A BE 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001BE5A316FD0, 16 bytes long.
Data: < w1Z > 00 77 31 5A BE 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001BE5A316710, 16 bytes long.
Data: < v1Z > D8 76 31 5A BE 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001BE5A316AD0, 16 bytes long.
Data: < v1Z > B0 76 31 5A BE 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001BE5A315370, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{294} normal block at 0x000001BE5A3169E0, 16 bytes long.
Data: <H`1Z > 48 60 31 5A BE 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001BE5A30FC80, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{292} normal block at 0x000001BE5A316B70, 16 bytes long.
Data: < `1Z > 20 60 31 5A BE 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001BE5A317020, 16 bytes long.
Data: < _1Z > F8 5F 31 5A BE 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001BE5A3168A0, 16 bytes long.
Data: < _1Z > D0 5F 31 5A BE 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001BE5A316E40, 16 bytes long.
Data: < _1Z > A8 5F 31 5A BE 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001BE5A316F30, 16 bytes long.
Data: < _1Z > 80 5F 31 5A BE 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001BE5A316A80, 16 bytes long.
Data: <X_1Z > 58 5F 31 5A BE 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001BE5A310160, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{284} normal block at 0x000001BE5A3165D0, 16 bytes long.
Data: <0_1Z > 30 5F 31 5A BE 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001BE5A315F30, 320 bytes long.
Data: < e1Z ` 1Z > D0 65 31 5A BE 01 00 00 60 01 31 5A BE 01 00 00
{282} normal block at 0x000001BE5A316850, 16 bytes long.
Data: < v1Z > 90 76 31 5A BE 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001BE5A316990, 16 bytes long.
Data: <hv1Z > 68 76 31 5A BE 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001BE5A3100A0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{279} normal block at 0x000001BE5A317070, 16 bytes long.
Data: <@v1Z > 40 76 31 5A BE 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001BE5A310B80, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{277} normal block at 0x000001BE5A316BC0, 16 bytes long.
Data: < u1Z > 88 75 31 5A BE 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001BE5A316760, 16 bytes long.
Data: <`u1Z > 60 75 31 5A BE 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001BE5A3171B0, 16 bytes long.
Data: <8u1Z > 38 75 31 5A BE 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001BE5A316B20, 16 bytes long.
Data: < u1Z > 10 75 31 5A BE 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001BE5A316580, 16 bytes long.
Data: < t1Z > E8 74 31 5A BE 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001BE5A316490, 16 bytes long.
Data: < t1Z > C0 74 31 5A BE 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001BE5A317200, 16 bytes long.
Data: <pZ1Z > 70 5A 31 5A BE 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001BE5A315A70, 40 bytes long.
Data: < r1Z *\ > 00 72 31 5A BE 01 00 00 90 C3 2A 5C BE 01 00 00
{268} normal block at 0x000001BE5A316940, 16 bytes long.
Data: < t1Z > A0 74 31 5A BE 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001BE5A3166C0, 16 bytes long.
Data: <xt1Z > 78 74 31 5A BE 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001BE5A310700, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{265} normal block at 0x000001BE5A316670, 16 bytes long.
Data: <Pt1Z > 50 74 31 5A BE 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001BE5A317450, 992 bytes long.
Data: <pf1Z 1Z > 70 66 31 5A BE 01 00 00 00 07 31 5A BE 01 00 00
{100} normal block at 0x000001BE5A310520, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{99} normal block at 0x000001BE5A30E0C0, 16 bytes long.
Data: <`W1Z > 60 57 31 5A BE 01 00 00 00 00 00 00 00 00 00 00
{98} normal block at 0x000001BE5A315760, 40 bytes long.
Data: < 0Z 1Z > C0 E0 30 5A BE 01 00 00 20 05 31 5A BE 01 00 00
{75} normal block at 0x000001BE5A30E4D0, 16 bytes long.
Data: < > 80 EA 02 D3 F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000001BE5A30DFD0, 16 bytes long.
Data: <@ > 40 E9 02 D3 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001BE5A30DF30, 16 bytes long.
Data: < W > F8 57 FF D2 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001BE5A30E430, 16 bytes long.
Data: < W > D8 57 FF D2 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001BE5A30E3E0, 16 bytes long.
Data: <P > 50 04 FF D2 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001BE5A30E160, 16 bytes long.
Data: <0 > 30 04 FF D2 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001BE5A30EA70, 16 bytes long.
Data: < > E0 02 FF D2 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001BE5A30E570, 16 bytes long.
Data: < > 10 04 FF D2 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001BE5A30EE80, 16 bytes long.
Data: <p > 70 04 FF D2 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001BE5A30EDE0, 16 bytes long.
Data: < > 18 C0 FD D2 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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