Task 38668131
| Name | test_114-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND8775_0 |
| Workunit | 31610693 |
| Created | 25 Oct 2026, 10:44:58 UTC |
| Sent | 25 Oct 2026, 10:45:11 UTC |
| Report deadline | 30 Oct 2026, 10:45:11 UTC |
| Received | 25 Oct 2026, 13:04:41 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654625 |
| Run time | 30 min 39 sec |
| CPU time | 28 min 40 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 21,553.70 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 718.73 MB |
| Peak swap size | 9.92 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:34:46 (15876): wrapper (7.9.26016): starting
12:34:46 (15876): 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
12:34:50 (15876): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:34:50 (15876): 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 'D:\Applications\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 'D:\Applications\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
13:03:36 (15876): C:/Windows/system32/cmd.exe exited; CPU time 1720.406250
13:03:36 (15876): 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: 34666881 bytes.
Dumping objects ->
{3835581} normal block at 0x00000208FCF957C0, 48 bytes long.
Data: <PATH=D:\Applicat> 50 41 54 48 3D 44 3A 5C 41 70 70 6C 69 63 61 74
{3835570} normal block at 0x00000208FCF95750, 48 bytes long.
Data: <HOME=D:\Applicat> 48 4F 4D 45 3D 44 3A 5C 41 70 70 6C 69 63 61 74
{3835559} normal block at 0x00000208FCF956E0, 48 bytes long.
Data: <TMP=D:\Applicati> 54 4D 50 3D 44 3A 5C 41 70 70 6C 69 63 61 74 69
{3835548} normal block at 0x00000208FCF95590, 48 bytes long.
Data: <TEMP=D:\Applicat> 54 45 4D 50 3D 44 3A 5C 41 70 70 6C 69 63 61 74
{3835537} normal block at 0x00000208FCF95520, 48 bytes long.
Data: <TMPDIR=D:\Applic> 54 4D 50 44 49 52 3D 44 3A 5C 41 70 70 6C 69 63
{3835506} normal block at 0x00000208FEC89320, 64 bytes long.
Data: <PATH=D:\Applicat> 50 41 54 48 3D 44 3A 5C 41 70 70 6C 69 63 61 74
..\api\boinc_api.cpp(309) : {3835493} normal block at 0x00000208FCF90AF0, 8 bytes long.
Data: < Ný > 00 00 4E FD 08 02 00 00
{3833963} normal block at 0x00000208FCF90370, 8 bytes long.
Data: <0\Îþ > 30 5C CE FE 08 02 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000208FCF92AF0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000208FCF873F0, 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 0x00000208FCF96F20, 16 bytes long.
Data: <øsùü > F8 73 F9 FC 08 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000208FCF96BB0, 16 bytes long.
Data: <Ðsùü > D0 73 F9 FC 08 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000208FCF8E150, 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 0x00000208FCF96660, 16 bytes long.
Data: <¨sùü > A8 73 F9 FC 08 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000208FCF96E30, 16 bytes long.
Data: < sùü > 80 73 F9 FC 08 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000208FCF96E80, 16 bytes long.
Data: <Xsùü > 58 73 F9 FC 08 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000208FCF962A0, 16 bytes long.
Data: <0sùü > 30 73 F9 FC 08 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000208FCF95830, 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 0x00000208FCF969D0, 16 bytes long.
Data: < ¾÷ü > 08 BE F7 FC 08 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000208FCF8EC30, 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 0x00000208FCF96250, 16 bytes long.
Data: <à½÷ü > E0 BD F7 FC 08 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000208FCF96890, 16 bytes long.
Data: <¸½÷ü > B8 BD F7 FC 08 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000208FCF96840, 16 bytes long.
Data: < ½÷ü > 90 BD F7 FC 08 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000208FCF96B60, 16 bytes long.
Data: <h½÷ü > 68 BD F7 FC 08 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000208FCF96AC0, 16 bytes long.
Data: <@½÷ü > 40 BD F7 FC 08 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000208FCF96A20, 16 bytes long.
Data: < ½÷ü > 18 BD F7 FC 08 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000208FCF8E570, 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 0x00000208FCF96CF0, 16 bytes long.
Data: <ð¼÷ü > F0 BC F7 FC 08 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000208FCF7BCF0, 320 bytes long.
Data: <ðlùü påøü > F0 6C F9 FC 08 02 00 00 70 E5 F8 FC 08 02 00 00
{277} normal block at 0x00000208FCF96390, 16 bytes long.
Data: < sùü > 10 73 F9 FC 08 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000208FCF96430, 16 bytes long.
Data: <èrùü > E8 72 F9 FC 08 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000208FCF8E750, 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 0x00000208FCF96200, 16 bytes long.
Data: <Àrùü > C0 72 F9 FC 08 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000208FCF8E210, 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 0x00000208FCF96610, 16 bytes long.
Data: < rùü > 08 72 F9 FC 08 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000208FCF961B0, 16 bytes long.
Data: <àqùü > E0 71 F9 FC 08 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000208FCF967A0, 16 bytes long.
Data: <¸qùü > B8 71 F9 FC 08 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000208FCF967F0, 16 bytes long.
Data: < qùü > 90 71 F9 FC 08 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000208FCF96B10, 16 bytes long.
Data: <hqùü > 68 71 F9 FC 08 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000208FCF96A70, 16 bytes long.
Data: <@qùü > 40 71 F9 FC 08 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000208FCF965C0, 16 bytes long.
Data: <ðYùü > F0 59 F9 FC 08 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000208FCF959F0, 40 bytes long.
Data: <Àeùü “Èþ > C0 65 F9 FC 08 02 00 00 20 93 C8 FE 08 02 00 00
{263} normal block at 0x00000208FCF96340, 16 bytes long.
Data: < qùü > 20 71 F9 FC 08 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000208FCF963E0, 16 bytes long.
Data: <øpùü > F8 70 F9 FC 08 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000208FCF8E870, 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 0x00000208FCF96160, 16 bytes long.
Data: <Ðpùü > D0 70 F9 FC 08 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000208FCF970D0, 992 bytes long.
Data: <`aùü pèøü > 60 61 F9 FC 08 02 00 00 70 E8 F8 FC 08 02 00 00
{95} normal block at 0x00000208FCF8E810, 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 0x00000208FCF8FD30, 16 bytes long.
Data: <@Ü÷ü > 40 DC F7 FC 08 02 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x00000208FCF7DC40, 40 bytes long.
Data: <0ýøü èøü > 30 FD F8 FC 08 02 00 00 10 E8 F8 FC 08 02 00 00
{72} normal block at 0x00000208FCF90AA0, 16 bytes long.
Data: < êQBö > 80 EA 51 42 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000208FCF900A0, 16 bytes long.
Data: <@éQBö > 40 E9 51 42 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000208FCF90730, 16 bytes long.
Data: <øWNBö > F8 57 4E 42 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000208FCF906E0, 16 bytes long.
Data: <ØWNBö > D8 57 4E 42 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000208FCF908C0, 16 bytes long.
Data: <P NBö > 50 04 4E 42 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000208FCF909B0, 16 bytes long.
Data: <0 NBö > 30 04 4E 42 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000208FCF901E0, 16 bytes long.
Data: <à NBö > E0 02 4E 42 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000208FCF90550, 16 bytes long.
Data: < NBö > 10 04 4E 42 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000208FCF90280, 16 bytes long.
Data: <p NBö > 70 04 4E 42 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000208FCF90640, 16 bytes long.
Data: < ÀLBö > 18 C0 4C 42 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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