Task 38681811
| Name | test_560-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND3916_0 |
| Workunit | 31623461 |
| Created | 27 Oct 2026, 5:27:53 UTC |
| Sent | 27 Oct 2026, 5:27:59 UTC |
| Report deadline | 1 Nov 2026, 5:27:59 UTC |
| Received | 27 Oct 2026, 5:52:56 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652326 |
| Run time | 23 min 54 sec |
| CPU time | 21 min 49 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 33,165.87 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 732.61 MB |
| Peak swap size | 12.99 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
14:29:24 (35880): wrapper (7.9.26016): starting
14:29:24 (35880): 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
14:29:25 (35880): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:29:25 (35880): 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\2\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\2\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
14:52:18 (35880): C:/Windows/system32/cmd.exe exited; CPU time 1309.734375
14:52:18 (35880): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 bytes in 8 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: 27056111 bytes.
Dumping objects ->
{3835334} normal block at 0x0000029F89C55E50, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835323} normal block at 0x0000029F89C55C90, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835312} normal block at 0x0000029F89C55C20, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835301} normal block at 0x0000029F89C55910, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835290} normal block at 0x0000029F89C55A60, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835259} normal block at 0x0000029F8BCF9CA0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835248} normal block at 0x0000029F89C9FD80, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
..\api\boinc_api.cpp(309) : {3835245} normal block at 0x0000029F89C4E6C0, 8 bytes long.
Data: < > 00 00 C0 89 9F 02 00 00
{3834646} normal block at 0x0000029F89CA00C0, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3834061} normal block at 0x0000029F89C4DF40, 8 bytes long.
Data: < > A0 86 D4 8B 9F 02 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000029F89C50B40, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000029F89C45710, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x0000029F89C54CF0, 16 bytes long.
Data: < V > E8 56 C5 89 9F 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000029F89C550B0, 16 bytes long.
Data: < V > C0 56 C5 89 9F 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000029F89C4F310, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x0000029F89C54840, 16 bytes long.
Data: < V > 98 56 C5 89 9F 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000029F89C55010, 16 bytes long.
Data: <pV > 70 56 C5 89 9F 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000029F89C547A0, 16 bytes long.
Data: <HV > 48 56 C5 89 9F 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000029F89C542A0, 16 bytes long.
Data: < V > 20 56 C5 89 9F 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000029F89C55F30, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x0000029F89C54430, 16 bytes long.
Data: < > 08 B5 C3 89 9F 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000029F89C4FA90, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x0000029F89C54C50, 16 bytes long.
Data: < > E0 B4 C3 89 9F 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000029F89C54700, 16 bytes long.
Data: < > B8 B4 C3 89 9F 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000029F89C54B10, 16 bytes long.
Data: < > 90 B4 C3 89 9F 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000029F89C545C0, 16 bytes long.
Data: <h > 68 B4 C3 89 9F 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000029F89C54750, 16 bytes long.
Data: <@ > 40 B4 C3 89 9F 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000029F89C55150, 16 bytes long.
Data: < > 18 B4 C3 89 9F 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000029F89C4FB50, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x0000029F89C543E0, 16 bytes long.
Data: < > F0 B3 C3 89 9F 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000029F89C3B3F0, 320 bytes long.
Data: < C P > E0 43 C5 89 9F 02 00 00 50 FB C4 89 9F 02 00 00
{277} normal block at 0x0000029F89C54390, 16 bytes long.
Data: < V > 00 56 C5 89 9F 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000029F89C54A70, 16 bytes long.
Data: < U > D8 55 C5 89 9F 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000029F89C4EDD0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x0000029F89C54340, 16 bytes long.
Data: < U > B0 55 C5 89 9F 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000029F89C4F7F0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x0000029F89C54D40, 16 bytes long.
Data: < T > F8 54 C5 89 9F 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000029F89C54A20, 16 bytes long.
Data: < T > D0 54 C5 89 9F 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000029F89C54570, 16 bytes long.
Data: < T > A8 54 C5 89 9F 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000029F89C54930, 16 bytes long.
Data: < T > 80 54 C5 89 9F 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000029F89C549D0, 16 bytes long.
Data: <XT > 58 54 C5 89 9F 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000029F89C551A0, 16 bytes long.
Data: <0T > 30 54 C5 89 9F 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000029F89C54AC0, 16 bytes long.
Data: < > D0 D2 C3 89 9F 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000029F89C3D2D0, 40 bytes long.
Data: < J > C0 4A C5 89 9F 02 00 00 A0 9C CF 8B 9F 02 00 00
{263} normal block at 0x0000029F89C548E0, 16 bytes long.
Data: < T > 10 54 C5 89 9F 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000029F89C546B0, 16 bytes long.
Data: < S > E8 53 C5 89 9F 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000029F89C4F4F0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x0000029F89C54610, 16 bytes long.
Data: < S > C0 53 C5 89 9F 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000029F89C553C0, 992 bytes long.
Data: < F > 10 46 C5 89 9F 02 00 00 F0 F4 C4 89 9F 02 00 00
{95} normal block at 0x0000029F89C4F010, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x0000029F89C4E5D0, 16 bytes long.
Data: < > E0 C6 C3 89 9F 02 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x0000029F89C3C6E0, 40 bytes long.
Data: < > D0 E5 C4 89 9F 02 00 00 10 F0 C4 89 9F 02 00 00
{70} normal block at 0x0000029F89C4ECB0, 16 bytes long.
Data: < & > 80 EA A8 26 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000029F89C4E4E0, 16 bytes long.
Data: <@ & > 40 E9 A8 26 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000029F89C4E580, 16 bytes long.
Data: < W & > F8 57 A5 26 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000029F89C4DE50, 16 bytes long.
Data: < W & > D8 57 A5 26 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000029F89C4E670, 16 bytes long.
Data: <P & > 50 04 A5 26 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000029F89C4EBC0, 16 bytes long.
Data: <0 & > 30 04 A5 26 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000029F89C4E620, 16 bytes long.
Data: < & > E0 02 A5 26 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000029F89C4EA80, 16 bytes long.
Data: < & > 10 04 A5 26 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000029F89C4DFE0, 16 bytes long.
Data: <p & > 70 04 A5 26 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000029F89C4E490, 16 bytes long.
Data: < & > 18 C0 A3 26 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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