Task 38647519
| Name | test_411-GPUGRID_TEST_ATM_4STEP_20261023-0-4-RND6041_0 |
| Workunit | 31592248 |
| Created | 23 Oct 2026, 20:12:08 UTC |
| Sent | 23 Oct 2026, 20:25:43 UTC |
| Report deadline | 28 Oct 2026, 20:25:43 UTC |
| Received | 26 Oct 2026, 7:07:33 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652296 |
| Run time | 1 hours 32 min 50 sec |
| CPU time | 1 hours 23 min 1 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 14,564.90 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 737.67 MB |
| Peak swap size | 8.39 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:36:19 (23388): wrapper (7.9.26016): starting
08:36:19 (23388): 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
08:36:23 (23388): Library/usr/bin/tar.exe exited; CPU time 0.015625
08:36:23 (23388): 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\9\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\9\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
10:06:25 (23388): C:/Windows/system32/cmd.exe exited; CPU time 4981.140625
10:06:25 (23388): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 107295185 bytes.
Dumping objects ->
{3835534} normal block at 0x0000019CAA820C30, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835523} normal block at 0x0000019CAA8214F0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835512} normal block at 0x0000019CAA820840, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835501} normal block at 0x0000019CAA8207D0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835490} normal block at 0x0000019CAA820FB0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835459} normal block at 0x0000019CAA91DDE0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835448} normal block at 0x0000019CAA9325C0, 102 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) : {3835445} normal block at 0x0000019CA8AFFF40, 8 bytes long.
Data: < ü¨œ > 00 00 FC A8 9C 01 00 00
{3834702} normal block at 0x0000019CAA932EB0, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833973} normal block at 0x0000019CA8AFF900, 8 bytes long.
Data: <0|—ªœ > 30 7C 97 AA 9C 01 00 00
..\zip\boinc_zip.cpp(122) : {318} normal block at 0x0000019CA8AFCC80, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x0000019CA8AF61D0, 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 0x0000019CA8B0A8C0, 16 bytes long.
Data: <8³°¨œ > 38 B3 B0 A8 9C 01 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x0000019CA8B0A320, 16 bytes long.
Data: < ³°¨œ > 10 B3 B0 A8 9C 01 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x0000019CA8B06720, 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 0x0000019CA8B0AE10, 16 bytes long.
Data: <è²°¨œ > E8 B2 B0 A8 9C 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000019CA8B0AAA0, 16 bytes long.
Data: <À²°¨œ > C0 B2 B0 A8 9C 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000019CA8B0A1E0, 16 bytes long.
Data: < ²°¨œ > 98 B2 B0 A8 9C 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000019CA8B0A190, 16 bytes long.
Data: <p²°¨œ > 70 B2 B0 A8 9C 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000019CA8B03D50, 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 0x0000019CA8B0A6E0, 16 bytes long.
Data: <¨5¯¨œ > A8 35 AF A8 9C 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000019CA8B064E0, 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 0x0000019CA8B0A690, 16 bytes long.
Data: < 5¯¨œ > 80 35 AF A8 9C 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000019CA8B0A550, 16 bytes long.
Data: <X5¯¨œ > 58 35 AF A8 9C 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000019CA8B0A820, 16 bytes long.
Data: <05¯¨œ > 30 35 AF A8 9C 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000019CA8B0ADC0, 16 bytes long.
Data: < 5¯¨œ > 08 35 AF A8 9C 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000019CA8B0A140, 16 bytes long.
Data: <à4¯¨œ > E0 34 AF A8 9C 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000019CA8B0A5F0, 16 bytes long.
Data: <¸4¯¨œ > B8 34 AF A8 9C 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000019CA8B063C0, 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 0x0000019CA8B0A0F0, 16 bytes long.
Data: < 4¯¨œ > 90 34 AF A8 9C 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000019CA8AF3490, 320 bytes long.
Data: <ð °¨œ Àc°¨œ > F0 A0 B0 A8 9C 01 00 00 C0 63 B0 A8 9C 01 00 00
{282} normal block at 0x0000019CA8B0A500, 16 bytes long.
Data: <P²°¨œ > 50 B2 B0 A8 9C 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000019CA8B0A4B0, 16 bytes long.
Data: <(²°¨œ > 28 B2 B0 A8 9C 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000019CA8B060C0, 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 0x0000019CA8B0AF00, 16 bytes long.
Data: < ²°¨œ > 00 B2 B0 A8 9C 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000019CA8B06840, 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 0x0000019CA8B0AA50, 16 bytes long.
Data: <H±°¨œ > 48 B1 B0 A8 9C 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000019CA8B0A460, 16 bytes long.
Data: < ±°¨œ > 20 B1 B0 A8 9C 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000019CA8B0A780, 16 bytes long.
Data: <ø°°¨œ > F8 B0 B0 A8 9C 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000019CA8B0A870, 16 bytes long.
Data: <а°¨œ > D0 B0 B0 A8 9C 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000019CA8B0A5A0, 16 bytes long.
Data: <¨°°¨œ > A8 B0 B0 A8 9C 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000019CA8B0A2D0, 16 bytes long.
Data: < °°¨œ > 80 B0 B0 A8 9C 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000019CA8B0A960, 16 bytes long.
Data: < ?°¨œ > 80 3F B0 A8 9C 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000019CA8B03F80, 40 bytes long.
Data: <`©°¨œ àÝ‘ªœ > 60 A9 B0 A8 9C 01 00 00 E0 DD 91 AA 9C 01 00 00
{268} normal block at 0x0000019CA8B0A230, 16 bytes long.
Data: <`°°¨œ > 60 B0 B0 A8 9C 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000019CA8B0A0A0, 16 bytes long.
Data: <8°°¨œ > 38 B0 B0 A8 9C 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000019CA8B06600, 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 0x0000019CA8B0A050, 16 bytes long.
Data: < °°¨œ > 10 B0 B0 A8 9C 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000019CA8B0B010, 992 bytes long.
Data: <P °¨œ f°¨œ > 50 A0 B0 A8 9C 01 00 00 00 66 B0 A8 9C 01 00 00
{100} normal block at 0x0000019CA8B06900, 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 0x0000019CA8AFFFE0, 16 bytes long.
Data: <@:°¨œ > 40 3A B0 A8 9C 01 00 00 00 00 00 00 00 00 00 00
{98} normal block at 0x0000019CA8B03A40, 40 bytes long.
Data: <àÿ¯¨œ i°¨œ > E0 FF AF A8 9C 01 00 00 00 69 B0 A8 9C 01 00 00
{77} normal block at 0x0000019CA8B00440, 16 bytes long.
Data: < ê?p÷ > 80 EA 3F 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x0000019CA8B00350, 16 bytes long.
Data: <@é?p÷ > 40 E9 3F 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x0000019CA8AFFE50, 16 bytes long.
Data: <øW<p÷ > F8 57 3C 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x0000019CA8B00580, 16 bytes long.
Data: <ØW<p÷ > D8 57 3C 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000019CA8B000D0, 16 bytes long.
Data: <P <p÷ > 50 04 3C 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000019CA8B00490, 16 bytes long.
Data: <0 <p÷ > 30 04 3C 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000019CA8B00300, 16 bytes long.
Data: <à <p÷ > E0 02 3C 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000019CA8B002B0, 16 bytes long.
Data: < <p÷ > 10 04 3C 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000019CA8B00260, 16 bytes long.
Data: <p <p÷ > 70 04 3C 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000019CA8B00170, 16 bytes long.
Data: < À:p÷ > 18 C0 3A 70 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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