Task 38687909
| Name | test_287-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND9350_0 |
| Workunit | 31629280 |
| Created | 28 Oct 2026, 10:29:01 UTC |
| Sent | 28 Oct 2026, 10:29:05 UTC |
| Report deadline | 2 Nov 2026, 10:29:05 UTC |
| Received | 28 Oct 2026, 11:03:43 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 585486 |
| Run time | 33 min 50 sec |
| CPU time | 30 min 51 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 | 705.86 MB |
| Peak swap size | 6.90 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
05:30:47 (20848): wrapper (7.9.26016): starting
05:30:47 (20848): 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
05:30:49 (20848): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:30:49 (20848): 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\13\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\13\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
06:03:14 (20848): C:/Windows/system32/cmd.exe exited; CPU time 1851.125000
06:03:14 (20848): 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: 42612379 bytes.
Dumping objects ->
{3835265} normal block at 0x000001F6B21FEF20, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835254} normal block at 0x000001F6B04C6330, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835243} normal block at 0x000001F6B04C62C0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835232} normal block at 0x000001F6B04C61E0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835221} normal block at 0x000001F6B04C6170, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835190} normal block at 0x000001F6B224CF90, 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) : {3835177} normal block at 0x000001F6B04C0190, 8 bytes long.
Data: < ž°ö > 00 00 9E B0 F6 01 00 00
{3833963} normal block at 0x000001F6B04BFF10, 8 bytes long.
Data: < K-²ö > 90 4B 2D B2 F6 01 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001F6B04C19E0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001F6B04B7370, 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 0x000001F6B04C6720, 16 bytes long.
Data: <xxL°ö > 78 78 4C B0 F6 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001F6B04C71C0, 16 bytes long.
Data: <PxL°ö > 50 78 4C B0 F6 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001F6B04C0D90, 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 0x000001F6B04C6680, 16 bytes long.
Data: <(xL°ö > 28 78 4C B0 F6 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001F6B04C7120, 16 bytes long.
Data: < xL°ö > 00 78 4C B0 F6 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001F6B04C6C70, 16 bytes long.
Data: <ØwL°ö > D8 77 4C B0 F6 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001F6B04C6A40, 16 bytes long.
Data: <°wL°ö > B0 77 4C B0 F6 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001F6B04C63A0, 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 0x000001F6B04C6C20, 16 bytes long.
Data: <ÈøK°ö > C8 F8 4B B0 F6 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001F6B04C0FD0, 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 0x000001F6B04C68B0, 16 bytes long.
Data: < øK°ö > A0 F8 4B B0 F6 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001F6B04C69A0, 16 bytes long.
Data: <xøK°ö > 78 F8 4B B0 F6 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001F6B04C70D0, 16 bytes long.
Data: <PøK°ö > 50 F8 4B B0 F6 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001F6B04C7080, 16 bytes long.
Data: <(øK°ö > 28 F8 4B B0 F6 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001F6B04C7350, 16 bytes long.
Data: < øK°ö > 00 F8 4B B0 F6 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001F6B04C7030, 16 bytes long.
Data: <Ø÷K°ö > D8 F7 4B B0 F6 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001F6B04C0F70, 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 0x000001F6B04C6D60, 16 bytes long.
Data: <°÷K°ö > B0 F7 4B B0 F6 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001F6B04BF7B0, 320 bytes long.
Data: <`mL°ö p L°ö > 60 6D 4C B0 F6 01 00 00 70 0F 4C B0 F6 01 00 00
{277} normal block at 0x000001F6B04C6950, 16 bytes long.
Data: < wL°ö > 90 77 4C B0 F6 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001F6B04C72B0, 16 bytes long.
Data: <hwL°ö > 68 77 4C B0 F6 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001F6B04C1690, 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 0x000001F6B04C6590, 16 bytes long.
Data: <@wL°ö > 40 77 4C B0 F6 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001F6B04C1330, 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 0x000001F6B04C7300, 16 bytes long.
Data: < vL°ö > 88 76 4C B0 F6 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001F6B04C6FE0, 16 bytes long.
Data: <`vL°ö > 60 76 4C B0 F6 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001F6B04C6F90, 16 bytes long.
Data: <8vL°ö > 38 76 4C B0 F6 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001F6B04C7210, 16 bytes long.
Data: < vL°ö > 10 76 4C B0 F6 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001F6B04C7170, 16 bytes long.
Data: <èuL°ö > E8 75 4C B0 F6 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001F6B04C6F40, 16 bytes long.
Data: <ÀuL°ö > C0 75 4C B0 F6 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001F6B04C74E0, 16 bytes long.
Data: <PbL°ö > 50 62 4C B0 F6 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001F6B04C6250, 40 bytes long.
Data: <àtL°ö Ï$²ö > E0 74 4C B0 F6 01 00 00 90 CF 24 B2 F6 01 00 00
{263} normal block at 0x000001F6B04C6EA0, 16 bytes long.
Data: < uL°ö > A0 75 4C B0 F6 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001F6B04C66D0, 16 bytes long.
Data: <xuL°ö > 78 75 4C B0 F6 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001F6B04C1810, 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 0x000001F6B04C7490, 16 bytes long.
Data: <PuL°ö > 50 75 4C B0 F6 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001F6B04C7550, 992 bytes long.
Data: < tL°ö L°ö > 90 74 4C B0 F6 01 00 00 10 18 4C B0 F6 01 00 00
{95} normal block at 0x000001F6B04C0B50, 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 0x000001F6B04BFC90, 16 bytes long.
Data: <ÀáJ°ö > C0 E1 4A B0 F6 01 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x000001F6B04AE1C0, 40 bytes long.
Data: < üK°ö P L°ö > 90 FC 4B B0 F6 01 00 00 50 0B 4C B0 F6 01 00 00
{72} normal block at 0x000001F6B04BFE70, 16 bytes long.
Data: < êL7÷ > 80 EA 4C 37 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001F6B04BFAB0, 16 bytes long.
Data: <@éL7÷ > 40 E9 4C 37 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001F6B04C0370, 16 bytes long.
Data: <øWI7÷ > F8 57 49 37 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001F6B04BFD80, 16 bytes long.
Data: <ØWI7÷ > D8 57 49 37 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001F6B04BFA60, 16 bytes long.
Data: <P I7÷ > 50 04 49 37 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001F6B04C0320, 16 bytes long.
Data: <0 I7÷ > 30 04 49 37 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001F6B04C0050, 16 bytes long.
Data: <à I7÷ > E0 02 49 37 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001F6B04BFE20, 16 bytes long.
Data: < I7÷ > 10 04 49 37 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001F6B04C0780, 16 bytes long.
Data: <p I7÷ > 70 04 49 37 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001F6B04C0000, 16 bytes long.
Data: < ÀG7÷ > 18 C0 47 37 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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