Task 38649740
| Name | test_873-GPUGRID_TEST_ATM_4STEP_20261023-1-4-RND8148_0 |
| Workunit | 31594323 |
| Created | 23 Oct 2026, 21:59:41 UTC |
| Sent | 23 Oct 2026, 22:29:38 UTC |
| Report deadline | 28 Oct 2026, 22:29:38 UTC |
| Received | 24 Oct 2026, 5:20:25 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654491 |
| Run time | 1 hours 36 min 35 sec |
| CPU time | 1 hours 28 min 1 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| 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 | 730.22 MB |
| Peak swap size | 6.93 GB |
| Peak disk usage | 4.20 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:47:51 (13552): wrapper (7.9.26016): starting
12:47:51 (13552): 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
12:47:54 (13552): Library/usr/bin/tar.exe exited; CPU time 0.015625
12:47:54 (13552): 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\4\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\4\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
14:19:16 (13552): C:/Windows/system32/cmd.exe exited; CPU time 5281.718750
14:19:16 (13552): 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: 113056787 bytes.
Dumping objects ->
{3835610} normal block at 0x000002236805D9D0, 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 0x000002236805DD50, 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 0x000002236805DE30, 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 0x000002236805DDC0, 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 0x0000022365FF5B80, 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 0x00000223680A5E40, 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 0x0000022365FEE6C0, 8 bytes long.
Data: < Nf# > 00 00 4E 66 23 02 00 00
{3834083} normal block at 0x0000022365FEE080, 8 bytes long.
Data: <`Z h# > 60 5A 13 68 23 02 00 00
..\zip\boinc_zip.cpp(122) : {318} normal block at 0x0000022365FF2460, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x0000022365FE7400, 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 0x0000022365FF6C00, 16 bytes long.
Data: < x e# > F8 78 FF 65 23 02 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x0000022365FF73D0, 16 bytes long.
Data: < x e# > D0 78 FF 65 23 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x0000022365FF0590, 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 0x0000022365FF69D0, 16 bytes long.
Data: < x e# > A8 78 FF 65 23 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000022365FF6660, 16 bytes long.
Data: < x e# > 80 78 FF 65 23 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000022365FF72E0, 16 bytes long.
Data: <Xx e# > 58 78 FF 65 23 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000022365FF7290, 16 bytes long.
Data: <0x e# > 30 78 FF 65 23 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000022365FF5870, 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 0x0000022365FF6980, 16 bytes long.
Data: < e# > 18 FB FE 65 23 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000022365FF0770, 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 0x0000022365FF7150, 16 bytes long.
Data: < e# > F0 FA FE 65 23 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000022365FF74C0, 16 bytes long.
Data: < e# > C8 FA FE 65 23 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000022365FF7470, 16 bytes long.
Data: < e# > A0 FA FE 65 23 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000022365FF6E80, 16 bytes long.
Data: <x e# > 78 FA FE 65 23 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000022365FF70B0, 16 bytes long.
Data: <P e# > 50 FA FE 65 23 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000022365FF7060, 16 bytes long.
Data: <( e# > 28 FA FE 65 23 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000022365FEFF90, 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 0x0000022365FF7420, 16 bytes long.
Data: < e# > 00 FA FE 65 23 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000022365FEFA00, 320 bytes long.
Data: < t e# e# > 20 74 FF 65 23 02 00 00 90 FF FE 65 23 02 00 00
{282} normal block at 0x0000022365FF7010, 16 bytes long.
Data: < x e# > 10 78 FF 65 23 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000022365FF6CA0, 16 bytes long.
Data: < w e# > E8 77 FF 65 23 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000022365FEFE10, 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 0x0000022365FF6F20, 16 bytes long.
Data: < w e# > C0 77 FF 65 23 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000022365FF04D0, 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 0x0000022365FF66B0, 16 bytes long.
Data: < w e# > 08 77 FF 65 23 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000022365FF6A20, 16 bytes long.
Data: < v e# > E0 76 FF 65 23 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000022365FF6700, 16 bytes long.
Data: < v e# > B8 76 FF 65 23 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000022365FF7100, 16 bytes long.
Data: < v e# > 90 76 FF 65 23 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000022365FF67A0, 16 bytes long.
Data: <hv e# > 68 76 FF 65 23 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000022365FF6FC0, 16 bytes long.
Data: <@v e# > 40 76 FF 65 23 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000022365FF71F0, 16 bytes long.
Data: < ^ e# > 20 5E FF 65 23 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000022365FF5E20, 40 bytes long.
Data: < q e# @^ h# > F0 71 FF 65 23 02 00 00 40 5E 0A 68 23 02 00 00
{268} normal block at 0x0000022365FF6CF0, 16 bytes long.
Data: < v e# > 20 76 FF 65 23 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000022365FF6750, 16 bytes long.
Data: < u e# > F8 75 FF 65 23 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000022365FF0950, 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 0x0000022365FF6ED0, 16 bytes long.
Data: < u e# > D0 75 FF 65 23 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000022365FF75D0, 992 bytes long.
Data: < n e# P e# > D0 6E FF 65 23 02 00 00 50 09 FF 65 23 02 00 00
{100} normal block at 0x0000022365FF02F0, 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 0x0000022365FEE170, 16 bytes long.
Data: < [ e# > F0 5B FF 65 23 02 00 00 00 00 00 00 00 00 00 00
{98} normal block at 0x0000022365FF5BF0, 40 bytes long.
Data: <p e# e# > 70 E1 FE 65 23 02 00 00 F0 02 FF 65 23 02 00 00
{75} normal block at 0x0000022365FEEBC0, 16 bytes long.
Data: < > 80 EA 02 D3 F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x0000022365FEE210, 16 bytes long.
Data: <@ > 40 E9 02 D3 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000022365FEE490, 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 0x0000022365FEE670, 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 0x0000022365FEE8A0, 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 0x0000022365FEE440, 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 0x0000022365FEECB0, 16 bytes long.
Data: < > E0 02 FF D2 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000022365FEEC60, 16 bytes long.
Data: < > 10 04 FF D2 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000022365FEE3A0, 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 0x0000022365FEEA80, 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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