Task 38682103
| Name | test_281-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND4185_0 |
| Workunit | 31623737 |
| Created | 27 Oct 2026, 6:35:04 UTC |
| Sent | 27 Oct 2026, 6:35:13 UTC |
| Report deadline | 1 Nov 2026, 6:35:13 UTC |
| Received | 27 Oct 2026, 7:00:46 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 619058 |
| Run time | 20 min 31 sec |
| CPU time | 19 min 10 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 82,578.99 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 742.02 MB |
| Peak swap size | 13.16 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:40:54 (46640): wrapper (7.9.26016): starting
00:40:54 (46640): 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
00:40:55 (46640): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:40:55 (46640): 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
01:00:22 (46640): C:/Windows/system32/cmd.exe exited; CPU time 1150.703125
01:00:22 (46640): 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: 30094569 bytes.
Dumping objects ->
{3835217} normal block at 0x000001A8CBBB5990, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835206} normal block at 0x000001A8CBBB53E0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835195} normal block at 0x000001A8CBBB5530, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835184} normal block at 0x000001A8CBBB57D0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835173} normal block at 0x000001A8CBBB56F0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835142} normal block at 0x000001A8CD9381A0, 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) : {3835129} normal block at 0x000001A8CBBAE580, 8 bytes long.
Data: < ̨ > 00 00 1D CC A8 01 00 00
{3833963} normal block at 0x000001A8CBBAE170, 8 bytes long.
Data: <pèÈ˨ > 70 E8 C8 CB A8 01 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001A8CBBB1030, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001A8CBBA7090, 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 0x000001A8CBBB6690, 16 bytes long.
Data: <¸u»Ë¨ > B8 75 BB CB A8 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001A8CBBB6CD0, 16 bytes long.
Data: < u»Ë¨ > 90 75 BB CB A8 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001A8CBBB0B60, 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 0x000001A8CBBB62D0, 16 bytes long.
Data: <hu»Ë¨ > 68 75 BB CB A8 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001A8CBBB7130, 16 bytes long.
Data: <@u»Ë¨ > 40 75 BB CB A8 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001A8CBBB6BE0, 16 bytes long.
Data: < u»Ë¨ > 18 75 BB CB A8 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001A8CBBB7220, 16 bytes long.
Data: <ðt»Ë¨ > F0 74 BB CB A8 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001A8CBBB5450, 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 0x000001A8CBBB6370, 16 bytes long.
Data: <軹˨ > E8 BB B9 CB A8 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001A8CBBB0AA0, 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 0x000001A8CBBB6550, 16 bytes long.
Data: <À»¹Ë¨ > C0 BB B9 CB A8 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001A8CBBB6960, 16 bytes long.
Data: < »¹Ë¨ > 98 BB B9 CB A8 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001A8CBBB6C80, 16 bytes long.
Data: <p»¹Ë¨ > 70 BB B9 CB A8 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001A8CBBB64B0, 16 bytes long.
Data: <H»¹Ë¨ > 48 BB B9 CB A8 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001A8CBBB67D0, 16 bytes long.
Data: < »¹Ë¨ > 20 BB B9 CB A8 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001A8CBBB6910, 16 bytes long.
Data: <øº¹Ë¨ > F8 BA B9 CB A8 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001A8CBBB0A40, 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 0x000001A8CBBB6460, 16 bytes long.
Data: <к¹Ë¨ > D0 BA B9 CB A8 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001A8CBB9BAD0, 320 bytes long.
Data: <`d»Ë¨ @ »Ë¨ > 60 64 BB CB A8 01 00 00 40 0A BB CB A8 01 00 00
{277} normal block at 0x000001A8CBBB66E0, 16 bytes long.
Data: <Ðt»Ë¨ > D0 74 BB CB A8 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001A8CBBB6AF0, 16 bytes long.
Data: <¨t»Ë¨ > A8 74 BB CB A8 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001A8CBBB0980, 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 0x000001A8CBBB6640, 16 bytes long.
Data: < t»Ë¨ > 80 74 BB CB A8 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001A8CBBB0440, 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 0x000001A8CBBB65F0, 16 bytes long.
Data: <Ès»Ë¨ > C8 73 BB CB A8 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001A8CBBB6B40, 16 bytes long.
Data: < s»Ë¨ > A0 73 BB CB A8 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001A8CBBB6B90, 16 bytes long.
Data: <xs»Ë¨ > 78 73 BB CB A8 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001A8CBBB6780, 16 bytes long.
Data: <Ps»Ë¨ > 50 73 BB CB A8 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001A8CBBB68C0, 16 bytes long.
Data: <(s»Ë¨ > 28 73 BB CB A8 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001A8CBBB6A00, 16 bytes long.
Data: < s»Ë¨ > 00 73 BB CB A8 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001A8CBBB6FF0, 16 bytes long.
Data: <°X»Ë¨ > B0 58 BB CB A8 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001A8CBBB58B0, 40 bytes long.
Data: <ðo»Ë¨   “ͨ > F0 6F BB CB A8 01 00 00 A0 81 93 CD A8 01 00 00
{263} normal block at 0x000001A8CBBB6C30, 16 bytes long.
Data: <àr»Ë¨ > E0 72 BB CB A8 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001A8CBBB6D20, 16 bytes long.
Data: <¸r»Ë¨ > B8 72 BB CB A8 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001A8CBBB0860, 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 0x000001A8CBBB6730, 16 bytes long.
Data: < r»Ë¨ > 90 72 BB CB A8 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001A8CBBB7290, 992 bytes long.
Data: <0g»Ë¨ ` »Ë¨ > 30 67 BB CB A8 01 00 00 60 08 BB CB A8 01 00 00
{95} normal block at 0x000001A8CBBB02C0, 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 0x000001A8CBBAE7B0, 16 bytes long.
Data: <@úºË¨ > 40 FA BA CB A8 01 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x000001A8CBBAFA40, 40 bytes long.
Data: <°çºË¨ À »Ë¨ > B0 E7 BA CB A8 01 00 00 C0 02 BB CB A8 01 00 00
{72} normal block at 0x000001A8CBBAE8F0, 16 bytes long.
Data: < ê ÷ > 80 EA 98 7F F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001A8CBBADB80, 16 bytes long.
Data: <@é ÷ > 40 E9 98 7F F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001A8CBBAE3F0, 16 bytes long.
Data: <øW• ÷ > F8 57 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001A8CBBAE530, 16 bytes long.
Data: <ØW• ÷ > D8 57 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001A8CBBAE1C0, 16 bytes long.
Data: <P • ÷ > 50 04 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001A8CBBAE2B0, 16 bytes long.
Data: <0 • ÷ > 30 04 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001A8CBBAE120, 16 bytes long.
Data: <à • ÷ > E0 02 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001A8CBBADB30, 16 bytes long.
Data: < • ÷ > 10 04 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001A8CBBADE50, 16 bytes long.
Data: <p • ÷ > 70 04 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001A8CBBADDB0, 16 bytes long.
Data: < À“ ÷ > 18 C0 93 7F F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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