Task 38665464
| Name | test_431-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND4029_1 |
| Workunit | 31608173 |
| Created | 25 Oct 2026, 1:06:58 UTC |
| Sent | 25 Oct 2026, 1:14:34 UTC |
| Report deadline | 30 Oct 2026, 1:14:34 UTC |
| Received | 26 Oct 2026, 2:29:21 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 645421 |
| Run time | 1 days 0 hours 43 min 14 sec |
| CPU time | 1 days 0 hours 34 min 17 sec |
| Validate state | Valid |
| Credit | 600,000.00 |
| Device peak FLOPS | 1,390.04 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 680.56 MB |
| Peak swap size | 5.19 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:44:55 (25316): wrapper (7.9.26016): starting
18:44:55 (25316): 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
18:44:56 (25316): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:44:56 (25316): 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\12\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\12\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
19:26:55 (25316): C:/Windows/system32/cmd.exe exited; CPU time 88457.625000
19:26:55 (25316): 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: 1504606601 bytes.
Dumping objects ->
{3835203} normal block at 0x000001E624B9C340, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835192} normal block at 0x000001E622ED48A0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835181} normal block at 0x000001E622ED46E0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835170} normal block at 0x000001E622ED4600, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835159} normal block at 0x000001E622ED49F0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835128} normal block at 0x000001E624BE96B0, 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) : {3835115} normal block at 0x000001E622ECF570, 8 bytes long.
Data: < 9#æ > 00 00 39 23 E6 01 00 00
{3833963} normal block at 0x000001E622ECF930, 8 bytes long.
Data: < 6Ä$æ > 80 36 C4 24 E6 01 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001E622ED06C0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001E622EC6150, 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 0x000001E622ED6370, 16 bytes long.
Data: <(Sí"æ > 28 53 ED 22 E6 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001E622ED5C40, 16 bytes long.
Data: < Sí"æ > 00 53 ED 22 E6 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001E622ECEAE0, 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 0x000001E622ED5BA0, 16 bytes long.
Data: <ØRí"æ > D8 52 ED 22 E6 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001E622ED5CE0, 16 bytes long.
Data: <°Rí"æ > B0 52 ED 22 E6 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001E622ED5AB0, 16 bytes long.
Data: < Rí"æ > 88 52 ED 22 E6 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001E622ED5E20, 16 bytes long.
Data: <`Rí"æ > 60 52 ED 22 E6 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001E622ED4B40, 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 0x000001E622ED5DD0, 16 bytes long.
Data: <8Žì"æ > 38 8E EC 22 E6 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001E622ECED80, 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 0x000001E622ED6050, 16 bytes long.
Data: < Žì"æ > 10 8E EC 22 E6 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001E622ED5FB0, 16 bytes long.
Data: <è ì"æ > E8 8D EC 22 E6 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001E622ED5F10, 16 bytes long.
Data: <À ì"æ > C0 8D EC 22 E6 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001E622ED6280, 16 bytes long.
Data: < ì"æ > 98 8D EC 22 E6 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001E622ED5EC0, 16 bytes long.
Data: <p ì"æ > 70 8D EC 22 E6 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001E622ED5E70, 16 bytes long.
Data: <H ì"æ > 48 8D EC 22 E6 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001E622ECF320, 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 0x000001E622ED5B50, 16 bytes long.
Data: < ì"æ > 20 8D EC 22 E6 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001E622EC8D20, 320 bytes long.
Data: <P[í"æ óì"æ > 50 5B ED 22 E6 01 00 00 20 F3 EC 22 E6 01 00 00
{277} normal block at 0x000001E622ED5F60, 16 bytes long.
Data: <@Rí"æ > 40 52 ED 22 E6 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001E622ED5BF0, 16 bytes long.
Data: < Rí"æ > 18 52 ED 22 E6 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001E622ECEA20, 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 0x000001E622ED62D0, 16 bytes long.
Data: <ðQí"æ > F0 51 ED 22 E6 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001E622ECEF60, 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 0x000001E622ED56A0, 16 bytes long.
Data: <8Qí"æ > 38 51 ED 22 E6 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001E622ED5470, 16 bytes long.
Data: < Qí"æ > 10 51 ED 22 E6 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001E622ED5B00, 16 bytes long.
Data: <èPí"æ > E8 50 ED 22 E6 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001E622ED5510, 16 bytes long.
Data: <ÀPí"æ > C0 50 ED 22 E6 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001E622ED6230, 16 bytes long.
Data: < Pí"æ > 98 50 ED 22 E6 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001E622ECFB60, 16 bytes long.
Data: <pPí"æ > 70 50 ED 22 E6 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001E622ECF520, 16 bytes long.
Data: <pFí"æ > 70 46 ED 22 E6 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001E622ED4670, 40 bytes long.
Data: < õì"æ °–¾$æ > 20 F5 EC 22 E6 01 00 00 B0 96 BE 24 E6 01 00 00
{263} normal block at 0x000001E622ECF4D0, 16 bytes long.
Data: <PPí"æ > 50 50 ED 22 E6 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001E622ECF8E0, 16 bytes long.
Data: <(Pí"æ > 28 50 ED 22 E6 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001E622ECE9C0, 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 0x000001E622ECFF70, 16 bytes long.
Data: < Pí"æ > 00 50 ED 22 E6 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001E622ED5000, 992 bytes long.
Data: <pÿì"æ Àéì"æ > 70 FF EC 22 E6 01 00 00 C0 E9 EC 22 E6 01 00 00
{95} normal block at 0x000001E622ECF0E0, 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 0x000001E622ECF7A0, 16 bytes long.
Data: <°Òë"æ > B0 D2 EB 22 E6 01 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x000001E622EBD2B0, 40 bytes long.
Data: < ÷ì"æ àðì"æ > A0 F7 EC 22 E6 01 00 00 E0 F0 EC 22 E6 01 00 00
{72} normal block at 0x000001E622ED01F0, 16 bytes long.
Data: < ꑼö > 80 EA 91 BC F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001E622ECF7F0, 16 bytes long.
Data: <@鑼ö > 40 E9 91 BC F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001E622ECF660, 16 bytes long.
Data: <øWŽ¼ö > F8 57 8E BC F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001E622ED0150, 16 bytes long.
Data: <ØWŽ¼ö > D8 57 8E BC F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001E622ED02E0, 16 bytes long.
Data: <P Ž¼ö > 50 04 8E BC F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001E622ECFAC0, 16 bytes long.
Data: <0 Ž¼ö > 30 04 8E BC F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001E622ECFE80, 16 bytes long.
Data: <à Ž¼ö > E0 02 8E BC F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001E622ED0380, 16 bytes long.
Data: < Ž¼ö > 10 04 8E BC F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001E622ECFFC0, 16 bytes long.
Data: <p Ž¼ö > 70 04 8E BC F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001E622ED0100, 16 bytes long.
Data: < ÀŒ¼ö > 18 C0 8C BC F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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