Task 38663240
| Name | test_343-GPUGRID_TEST_ATM_40STEP_20261023-9-40-RND3436_0 |
| Workunit | 31606462 |
| Created | 24 Oct 2026, 21:36:07 UTC |
| Sent | 24 Oct 2026, 21:36:13 UTC |
| Report deadline | 29 Oct 2026, 21:36:13 UTC |
| Received | 24 Oct 2026, 22:12:18 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 613630 |
| Run time | 27 min 52 sec |
| CPU time | 23 min 49 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 106,061.87 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 738.83 MB |
| Peak swap size | 7.22 GB |
| Peak disk usage | 3.02 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:44:09 (17696): wrapper (7.9.26016): starting
14:44:09 (17696): 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
14:44:11 (17696): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:44:11 (17696): 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
15:11:33 (17696): C:/Windows/system32/cmd.exe exited; CPU time 1429.187500
15:11:33 (17696): called boinc_finish(0)
0 bytes in 0 Free Blocks.
566 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: 22177747 bytes.
Dumping objects ->
{3835577} normal block at 0x0000012CF5C6C4D0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835566} normal block at 0x0000012CF5C45E40, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835555} normal block at 0x0000012CF5C45DD0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835544} normal block at 0x0000012CF5C46380, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835533} normal block at 0x0000012CF5C45D60, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835502} normal block at 0x0000012CF78AC260, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835491} normal block at 0x0000012CF5D14220, 155 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) : {3835488} normal block at 0x0000012CF5C3FFD0, 8 bytes long.
Data: < _÷, > 00 00 5F F7 2C 01 00 00
{3834707} normal block at 0x0000012CF5D137A0, 155 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833969} normal block at 0x0000012CF5C3F620, 8 bytes long.
Data: < s“÷, > 80 73 93 F7 2C 01 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000012CF5C48540, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x0000012CF5C37B90, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{300} normal block at 0x0000012CF5C47020, 16 bytes long.
Data: <xwÄõ, > 78 77 C4 F5 2C 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000012CF5C464E0, 16 bytes long.
Data: <PwÄõ, > 50 77 C4 F5 2C 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000012CF5C41B60, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{297} normal block at 0x0000012CF5C469E0, 16 bytes long.
Data: <(wÄõ, > 28 77 C4 F5 2C 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000012CF5C46B20, 16 bytes long.
Data: < wÄõ, > 00 77 C4 F5 2C 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000012CF5C47250, 16 bytes long.
Data: <ØvÄõ, > D8 76 C4 F5 2C 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000012CF5C46C10, 16 bytes long.
Data: <°vÄõ, > B0 76 C4 F5 2C 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000012CF5C46150, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{292} normal block at 0x0000012CF5C46C60, 16 bytes long.
Data: < ©Ãõ, > 98 A9 C3 F5 2C 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000012CF5C41260, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{290} normal block at 0x0000012CF5C46FD0, 16 bytes long.
Data: <p©Ãõ, > 70 A9 C3 F5 2C 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000012CF5C46530, 16 bytes long.
Data: <H©Ãõ, > 48 A9 C3 F5 2C 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000012CF5C46990, 16 bytes long.
Data: < ©Ãõ, > 20 A9 C3 F5 2C 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000012CF5C46490, 16 bytes long.
Data: <ø¨Ãõ, > F8 A8 C3 F5 2C 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000012CF5C46850, 16 bytes long.
Data: <ШÃõ, > D0 A8 C3 F5 2C 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000012CF5C46E90, 16 bytes long.
Data: <¨¨Ãõ, > A8 A8 C3 F5 2C 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000012CF5C40F60, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{282} normal block at 0x0000012CF5C46940, 16 bytes long.
Data: < ¨Ãõ, > 80 A8 C3 F5 2C 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000012CF5C3A880, 320 bytes long.
Data: <@iÄõ, ` Äõ, > 40 69 C4 F5 2C 01 00 00 60 0F C4 F5 2C 01 00 00
{280} normal block at 0x0000012CF5C471B0, 16 bytes long.
Data: < vÄõ, > 90 76 C4 F5 2C 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000012CF5C46E40, 16 bytes long.
Data: <hvÄõ, > 68 76 C4 F5 2C 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000012CF5C40F00, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{277} normal block at 0x0000012CF5C47390, 16 bytes long.
Data: <@vÄõ, > 40 76 C4 F5 2C 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000012CF5C41320, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{275} normal block at 0x0000012CF5C46F80, 16 bytes long.
Data: < uÄõ, > 88 75 C4 F5 2C 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000012CF5C47160, 16 bytes long.
Data: <`uÄõ, > 60 75 C4 F5 2C 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000012CF5C473E0, 16 bytes long.
Data: <8uÄõ, > 38 75 C4 F5 2C 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000012CF5C472A0, 16 bytes long.
Data: < uÄõ, > 10 75 C4 F5 2C 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000012CF5C468A0, 16 bytes long.
Data: <ètÄõ, > E8 74 C4 F5 2C 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000012CF5C467B0, 16 bytes long.
Data: <ÀtÄõ, > C0 74 C4 F5 2C 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000012CF5C46800, 16 bytes long.
Data: <°^Äõ, > B0 5E C4 F5 2C 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000012CF5C45EB0, 40 bytes long.
Data: < hÄõ, `Š÷, > 00 68 C4 F5 2C 01 00 00 60 C2 8A F7 2C 01 00 00
{266} normal block at 0x0000012CF5C47200, 16 bytes long.
Data: < tÄõ, > A0 74 C4 F5 2C 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000012CF5C46620, 16 bytes long.
Data: <xtÄõ, > 78 74 C4 F5 2C 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000012CF5C416E0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{263} normal block at 0x0000012CF5C46D00, 16 bytes long.
Data: <PtÄõ, > 50 74 C4 F5 2C 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000012CF5C47450, 992 bytes long.
Data: < mÄõ, à Äõ, > 00 6D C4 F5 2C 01 00 00 E0 16 C4 F5 2C 01 00 00
{98} normal block at 0x0000012CF5C414A0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{97} normal block at 0x0000012CF5C3FB20, 16 bytes long.
Data: <PéÂõ, > 50 E9 C2 F5 2C 01 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x0000012CF5C2E950, 40 bytes long.
Data: < ûÃõ,   Äõ, > 20 FB C3 F5 2C 01 00 00 A0 14 C4 F5 2C 01 00 00
{75} normal block at 0x0000012CF5C3FF80, 16 bytes long.
Data: < ê ö > 80 EA 81 0D F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x0000012CF5C3FCB0, 16 bytes long.
Data: <@é ö > 40 E9 81 0D F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000012CF5C3F3F0, 16 bytes long.
Data: <øW~ ö > F8 57 7E 0D F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000012CF5C3F760, 16 bytes long.
Data: <ØW~ ö > D8 57 7E 0D F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000012CF5C40160, 16 bytes long.
Data: <P ~ ö > 50 04 7E 0D F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000012CF5C3FC60, 16 bytes long.
Data: <0 ~ ö > 30 04 7E 0D F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000012CF5C400C0, 16 bytes long.
Data: <à ~ ö > E0 02 7E 0D F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000012CF5C3F800, 16 bytes long.
Data: < ~ ö > 10 04 7E 0D F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000012CF5C3F350, 16 bytes long.
Data: <p ~ ö > 70 04 7E 0D F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000012CF5C3FE90, 16 bytes long.
Data: < À| ö > 18 C0 7C 0D F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra