Task 38683448
| Name | test_726-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND1953_0 |
| Workunit | 31625004 |
| Created | 27 Oct 2026, 11:51:44 UTC |
| Sent | 27 Oct 2026, 11:51:48 UTC |
| Report deadline | 1 Nov 2026, 11:51:48 UTC |
| Received | 27 Oct 2026, 13:30:58 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 625863 |
| Run time | 24 min 48 sec |
| CPU time | 23 min 23 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 58,064.43 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 742.48 MB |
| Peak swap size | 13.04 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:06:46 (4544): wrapper (7.9.26016): starting
15:06:46 (4544): 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
15:06:47 (4544): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:06:47 (4544): 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\27\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\27\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
15:30:40 (4544): C:/Windows/system32/cmd.exe exited; CPU time 1403.468750
15:30:40 (4544): 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: 28082865 bytes.
Dumping objects ->
{3835575} normal block at 0x0000024DAC58F420, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835564} normal block at 0x0000024DAC58EE70, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835553} normal block at 0x0000024DAC58F110, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835542} normal block at 0x0000024DAC58F5E0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835531} normal block at 0x0000024DAA977740, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835500} normal block at 0x0000024DAC5D68B0, 64 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 0x0000024DAA9CF850, 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) : {3835486} normal block at 0x0000024DAA96BB30, 8 bytes long.
Data: < һM > 00 00 93 AA 4D 02 00 00
{3834707} normal block at 0x0000024DAA9D0210, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833975} normal block at 0x0000024DAA96BE50, 8 bytes long.
Data: <°sc¬M > B0 73 63 AC 4D 02 00 00
..\zip\boinc_zip.cpp(122) : {319} normal block at 0x0000024DAA973520, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{304} normal block at 0x0000024DAA967A70, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{303} normal block at 0x0000024DAA978420, 16 bytes long.
Data: <HŽ—ªM > 48 8E 97 AA 4D 02 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x0000024DAA978290, 16 bytes long.
Data: < Ž—ªM > 20 8E 97 AA 4D 02 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x0000024DAA96FC30, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{300} normal block at 0x0000024DAA9786A0, 16 bytes long.
Data: <ø —ªM > F8 8D 97 AA 4D 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000024DAA978650, 16 bytes long.
Data: <Ð —ªM > D0 8D 97 AA 4D 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000024DAA977D40, 16 bytes long.
Data: <¨ —ªM > A8 8D 97 AA 4D 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000024DAA977ED0, 16 bytes long.
Data: < —ªM > 80 8D 97 AA 4D 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000024DAA977510, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{295} normal block at 0x0000024DAA977CA0, 16 bytes long.
Data: <ø –ªM > F8 07 96 AA 4D 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000024DAA96FB70, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{293} normal block at 0x0000024DAA9783D0, 16 bytes long.
Data: <Ð –ªM > D0 07 96 AA 4D 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000024DAA978150, 16 bytes long.
Data: <¨ –ªM > A8 07 96 AA 4D 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000024DAA977CF0, 16 bytes long.
Data: < –ªM > 80 07 96 AA 4D 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000024DAA977E80, 16 bytes long.
Data: <X –ªM > 58 07 96 AA 4D 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000024DAA978560, 16 bytes long.
Data: <0 –ªM > 30 07 96 AA 4D 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000024DAA9788D0, 16 bytes long.
Data: < –ªM > 08 07 96 AA 4D 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000024DAA96FFF0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{285} normal block at 0x0000024DAA977C50, 16 bytes long.
Data: <à –ªM > E0 06 96 AA 4D 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000024DAA9606E0, 320 bytes long.
Data: <P|—ªM ðÿ–ªM > 50 7C 97 AA 4D 02 00 00 F0 FF 96 AA 4D 02 00 00
{283} normal block at 0x0000024DAA9780B0, 16 bytes long.
Data: <` —ªM > 60 8D 97 AA 4D 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000024DAA978010, 16 bytes long.
Data: <8 —ªM > 38 8D 97 AA 4D 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000024DAA96FB10, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{280} normal block at 0x0000024DAA978A60, 16 bytes long.
Data: < —ªM > 10 8D 97 AA 4D 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000024DAA96FAB0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{278} normal block at 0x0000024DAA978380, 16 bytes long.
Data: <XŒ—ªM > 58 8C 97 AA 4D 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000024DAA978600, 16 bytes long.
Data: <0Œ—ªM > 30 8C 97 AA 4D 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000024DAA977E30, 16 bytes long.
Data: < Œ—ªM > 08 8C 97 AA 4D 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000024DAA977DE0, 16 bytes long.
Data: <à‹—ªM > E0 8B 97 AA 4D 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000024DAA977F20, 16 bytes long.
Data: <¸‹—ªM > B8 8B 97 AA 4D 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000024DAA978970, 16 bytes long.
Data: < ‹—ªM > 90 8B 97 AA 4D 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000024DAA978880, 16 bytes long.
Data: <`v—ªM > 60 76 97 AA 4D 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000024DAA977660, 40 bytes long.
Data: < —ªM °h]¬M > 80 88 97 AA 4D 02 00 00 B0 68 5D AC 4D 02 00 00
{269} normal block at 0x0000024DAA978830, 16 bytes long.
Data: <p‹—ªM > 70 8B 97 AA 4D 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000024DAA9789C0, 16 bytes long.
Data: <H‹—ªM > 48 8B 97 AA 4D 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000024DAA970470, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{266} normal block at 0x0000024DAA977D90, 16 bytes long.
Data: < ‹—ªM > 20 8B 97 AA 4D 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000024DAA978B20, 992 bytes long.
Data: < }—ªM p —ªM > 90 7D 97 AA 4D 02 00 00 70 04 97 AA 4D 02 00 00
{101} normal block at 0x0000024DAA96FED0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{100} normal block at 0x0000024DAA96B720, 16 bytes long.
Data: <°w—ªM > B0 77 97 AA 4D 02 00 00 00 00 00 00 00 00 00 00
{99} normal block at 0x0000024DAA9777B0, 40 bytes long.
Data: < ·–ªM Ðþ–ªM > 20 B7 96 AA 4D 02 00 00 D0 FE 96 AA 4D 02 00 00
{78} normal block at 0x0000024DAA96C530, 16 bytes long.
Data: < ê ÷ > 80 EA 13 8D F7 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x0000024DAA96BB80, 16 bytes long.
Data: <@é ÷ > 40 E9 13 8D F7 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x0000024DAA96BE00, 16 bytes long.
Data: <øW ÷ > F8 57 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x0000024DAA96B810, 16 bytes long.
Data: <ØW ÷ > D8 57 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x0000024DAA96C620, 16 bytes long.
Data: <P ÷ > 50 04 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000024DAA96C2B0, 16 bytes long.
Data: <0 ÷ > 30 04 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000024DAA96C170, 16 bytes long.
Data: <à ÷ > E0 02 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000024DAA96C0D0, 16 bytes long.
Data: < ÷ > 10 04 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000024DAA96B9F0, 16 bytes long.
Data: <p ÷ > 70 04 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000024DAA96C3F0, 16 bytes long.
Data: < À ÷ > 18 C0 0E 8D F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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