Task 38678520
| Name | test_922-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND9923_0 |
| Workunit | 31620335 |
| Created | 26 Oct 2026, 17:40:43 UTC |
| Sent | 26 Oct 2026, 17:40:49 UTC |
| Report deadline | 31 Oct 2026, 17:40:49 UTC |
| Received | 26 Oct 2026, 19:31:35 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 653612 |
| Run time | 1 hours 28 min 55 sec |
| CPU time | 1 hours 21 min 13 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 2,141.69 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 642.41 MB |
| Peak swap size | 2.96 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:02:38 (8012): wrapper (7.9.26016): starting
02:02:38 (8012): 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
02:02:49 (8012): Library/usr/bin/tar.exe exited; CPU time 0.109375
02:02:49 (8012): 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
03:31:06 (8012): C:/Windows/system32/cmd.exe exited; CPU time 4873.093750
03:31:06 (8012): 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: 68984555 bytes.
Dumping objects ->
{3835525} normal block at 0x000001CCA6EE3DB0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835514} normal block at 0x000001CCA4D94E10, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835503} normal block at 0x000001CCA4D94D30, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835492} normal block at 0x000001CCA4D94A90, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835481} normal block at 0x000001CCA4D94A20, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835450} normal block at 0x000001CCA6E58550, 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) : {3835437} normal block at 0x000001CCA4D90C20, 8 bytes long.
Data: < ) > 00 00 29 A5 CC 01 00 00
{3834053} normal block at 0x000001CCA4D90E00, 8 bytes long.
Data: < K > C0 4B EB A6 CC 01 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001CCA4D8EF70, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001CCA4D860F0, 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 0x000001CCA4D95E90, 16 bytes long.
Data: < T > 88 54 D9 A4 CC 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001CCA4D960C0, 16 bytes long.
Data: <`T > 60 54 D9 A4 CC 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001CCA4D8F800, 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 0x000001CCA4D95C60, 16 bytes long.
Data: <8T > 38 54 D9 A4 CC 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001CCA4D957B0, 16 bytes long.
Data: < T > 10 54 D9 A4 CC 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001CCA4D95DA0, 16 bytes long.
Data: < S > E8 53 D9 A4 CC 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001CCA4D95760, 16 bytes long.
Data: < S > C0 53 D9 A4 CC 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001CCA4D94BE0, 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 0x000001CCA4D964D0, 16 bytes long.
Data: <x > 78 8B D8 A4 CC 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001CCA4D8F7A0, 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 0x000001CCA4D95E40, 16 bytes long.
Data: <P > 50 8B D8 A4 CC 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001CCA4D95C10, 16 bytes long.
Data: <( > 28 8B D8 A4 CC 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001CCA4D96110, 16 bytes long.
Data: < > 00 8B D8 A4 CC 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001CCA4D958A0, 16 bytes long.
Data: < > D8 8A D8 A4 CC 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001CCA4D95D50, 16 bytes long.
Data: < > B0 8A D8 A4 CC 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001CCA4D958F0, 16 bytes long.
Data: < > 88 8A D8 A4 CC 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001CCA4D8FAA0, 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 0x000001CCA4D95BC0, 16 bytes long.
Data: <` > 60 8A D8 A4 CC 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001CCA4D88A60, 320 bytes long.
Data: < [ > C0 5B D9 A4 CC 01 00 00 A0 FA D8 A4 CC 01 00 00
{275} normal block at 0x000001CCA4D96480, 16 bytes long.
Data: < S > A0 53 D9 A4 CC 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001CCA4D96250, 16 bytes long.
Data: <xS > 78 53 D9 A4 CC 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001CCA4D8F920, 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 0x000001CCA4D96160, 16 bytes long.
Data: <PS > 50 53 D9 A4 CC 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001CCA4D8F440, 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 0x000001CCA4D95710, 16 bytes long.
Data: < R > 98 52 D9 A4 CC 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001CCA4D963E0, 16 bytes long.
Data: <pR > 70 52 D9 A4 CC 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001CCA4D95800, 16 bytes long.
Data: <HR > 48 52 D9 A4 CC 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001CCA4D95DF0, 16 bytes long.
Data: < R > 20 52 D9 A4 CC 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001CCA4D90D60, 16 bytes long.
Data: < Q > F8 51 D9 A4 CC 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001CCA4D905E0, 16 bytes long.
Data: < Q > D0 51 D9 A4 CC 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001CCA4D911C0, 16 bytes long.
Data: < N > F0 4E D9 A4 CC 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001CCA4D94EF0, 40 bytes long.
Data: < P > C0 11 D9 A4 CC 01 00 00 50 85 E5 A6 CC 01 00 00
{261} normal block at 0x000001CCA4D90630, 16 bytes long.
Data: < Q > B0 51 D9 A4 CC 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001CCA4D90CC0, 16 bytes long.
Data: < Q > 88 51 D9 A4 CC 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001CCA4D902E0, 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 0x000001CCA4D90C70, 16 bytes long.
Data: <`Q > 60 51 D9 A4 CC 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001CCA4D95160, 992 bytes long.
Data: <p > 70 0C D9 A4 CC 01 00 00 E0 02 D9 A4 CC 01 00 00
{93} normal block at 0x000001CCA4D8FA40, 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 0x000001CCA4D91030, 16 bytes long.
Data: <@ > 40 B4 D7 A4 CC 01 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x000001CCA4D7B440, 40 bytes long.
Data: <0 @ > 30 10 D9 A4 CC 01 00 00 40 FA D8 A4 CC 01 00 00
{68} normal block at 0x000001CCA4D90F90, 16 bytes long.
Data: < a> > 80 EA 61 3E F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001CCA4D910D0, 16 bytes long.
Data: <@ a> > 40 E9 61 3E F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001CCA4D90680, 16 bytes long.
Data: < W^> > F8 57 5E 3E F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001CCA4D91260, 16 bytes long.
Data: < W^> > D8 57 5E 3E F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001CCA4D913A0, 16 bytes long.
Data: <P ^> > 50 04 5E 3E F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001CCA4D906D0, 16 bytes long.
Data: <0 ^> > 30 04 5E 3E F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001CCA4D90590, 16 bytes long.
Data: < ^> > E0 02 5E 3E F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001CCA4D90DB0, 16 bytes long.
Data: < ^> > 10 04 5E 3E F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001CCA4D91170, 16 bytes long.
Data: <p ^> > 70 04 5E 3E F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001CCA4D91120, 16 bytes long.
Data: < \> > 18 C0 5C 3E F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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