Task 38685209
| Name | test_563-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND8357_0 |
| Workunit | 31626686 |
| Created | 27 Oct 2026, 20:00:29 UTC |
| Sent | 27 Oct 2026, 20:00:31 UTC |
| Report deadline | 1 Nov 2026, 20:00:31 UTC |
| Received | 27 Oct 2026, 21:03:38 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652497 |
| Run time | 21 min 5 sec |
| CPU time | 15 min 55 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 57,419.31 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 745.81 MB |
| Peak swap size | 13.04 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:42:47 (2332): wrapper (7.9.26016): starting
15:42:47 (2332): 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
15:42:48 (2332): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:42:48 (2332): 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\0\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\0\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
16:03:04 (2332): C:/Windows/system32/cmd.exe exited; CPU time 955.781250
16:03:04 (2332): 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: 22793711 bytes.
Dumping objects ->
{3835193} normal block at 0x000001ADEB56D7A0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835182} normal block at 0x000001ADEB56D810, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835171} normal block at 0x000001ADEB56CFC0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835160} normal block at 0x000001ADEB56CD20, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835149} normal block at 0x000001ADEB56D180, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835118} normal block at 0x000001ADED2F0630, 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) : {3835105} normal block at 0x000001ADEB55C680, 8 bytes long.
Data: < ¢ë­ > 00 00 A2 EB AD 01 00 00
{3833951} normal block at 0x000001ADEB55C630, 8 bytes long.
Data: <@ê í­ > 40 EA 1F ED AD 01 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001ADEB55D500, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001ADEB55A420, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{291} normal block at 0x000001ADEB56E350, 16 bytes long.
Data: < îVë­ > 18 EE 56 EB AD 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001ADEB56E120, 16 bytes long.
Data: <ðíVë­ > F0 ED 56 EB AD 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001ADEB56AF10, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{288} normal block at 0x000001ADEB56E0D0, 16 bytes long.
Data: <ÈíVë­ > C8 ED 56 EB AD 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001ADEB56E080, 16 bytes long.
Data: < íVë­ > A0 ED 56 EB AD 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001ADEB56DFE0, 16 bytes long.
Data: <xíVë­ > 78 ED 56 EB AD 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001ADEB56DEA0, 16 bytes long.
Data: <PíVë­ > 50 ED 56 EB AD 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001ADEB569800, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{283} normal block at 0x000001ADEB56DCC0, 16 bytes long.
Data: <8ºUë­ > 38 BA 55 EB AD 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001ADEB56AC10, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{281} normal block at 0x000001ADEB56DB80, 16 bytes long.
Data: < ºUë­ > 10 BA 55 EB AD 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001ADEB56EA80, 16 bytes long.
Data: <è¹Uë­ > E8 B9 55 EB AD 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001ADEB56E940, 16 bytes long.
Data: <À¹Uë­ > C0 B9 55 EB AD 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001ADEB56E530, 16 bytes long.
Data: < ¹Uë­ > 98 B9 55 EB AD 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001ADEB56E620, 16 bytes long.
Data: <p¹Uë­ > 70 B9 55 EB AD 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001ADEB56E800, 16 bytes long.
Data: <H¹Uë­ > 48 B9 55 EB AD 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001ADEB56AE50, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{273} normal block at 0x000001ADEB56E490, 16 bytes long.
Data: < ¹Uë­ > 20 B9 55 EB AD 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001ADEB55B920, 320 bytes long.
Data: < äVë­ P®Vë­ > 90 E4 56 EB AD 01 00 00 50 AE 56 EB AD 01 00 00
{271} normal block at 0x000001ADEB56E5D0, 16 bytes long.
Data: <0íVë­ > 30 ED 56 EB AD 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001ADEB56E7B0, 16 bytes long.
Data: < íVë­ > 08 ED 56 EB AD 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001ADEB56A0D0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{268} normal block at 0x000001ADEB56E300, 16 bytes long.
Data: <àìVë­ > E0 EC 56 EB AD 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001ADEB56ABB0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{266} normal block at 0x000001ADEB56E8F0, 16 bytes long.
Data: <(ìVë­ > 28 EC 56 EB AD 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001ADEB56DE00, 16 bytes long.
Data: < ìVë­ > 00 EC 56 EB AD 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001ADEB56DF40, 16 bytes long.
Data: <ØëVë­ > D8 EB 56 EB AD 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001ADEB56DDB0, 16 bytes long.
Data: <°ëVë­ > B0 EB 56 EB AD 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001ADEB56DD60, 16 bytes long.
Data: < ëVë­ > 88 EB 56 EB AD 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001ADEB56E760, 16 bytes long.
Data: <`ëVë­ > 60 EB 56 EB AD 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001ADEB56DF90, 16 bytes long.
Data: <`œVë­ > 60 9C 56 EB AD 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001ADEB569C60, 40 bytes long.
Data: < ßVë­ 0 /í­ > 90 DF 56 EB AD 01 00 00 30 06 2F ED AD 01 00 00
{257} normal block at 0x000001ADEB56DC70, 16 bytes long.
Data: <@ëVë­ > 40 EB 56 EB AD 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001ADEB56E1C0, 16 bytes long.
Data: < ëVë­ > 18 EB 56 EB AD 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001ADEB56A1F0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{254} normal block at 0x000001ADEB56DE50, 16 bytes long.
Data: <ðêVë­ > F0 EA 56 EB AD 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001ADEB56EAF0, 992 bytes long.
Data: <PÞVë­ ð¡Vë­ > 50 DE 56 EB AD 01 00 00 F0 A1 56 EB AD 01 00 00
{89} normal block at 0x000001ADEB56A910, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{88} normal block at 0x000001ADEB55C4F0, 16 bytes long.
Data: <@ Vë­ > 40 9D 56 EB AD 01 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x000001ADEB569D40, 40 bytes long.
Data: <ðÄUë­ ©Vë­ > F0 C4 55 EB AD 01 00 00 10 A9 56 EB AD 01 00 00
{66} normal block at 0x000001ADEB55CCC0, 16 bytes long.
Data: < ê/èö > 80 EA 2F E8 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001ADEB55C720, 16 bytes long.
Data: <@é/èö > 40 E9 2F E8 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001ADEB55CC70, 16 bytes long.
Data: <øW,èö > F8 57 2C E8 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001ADEB55CA40, 16 bytes long.
Data: <ØW,èö > D8 57 2C E8 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001ADEB55CEF0, 16 bytes long.
Data: <P ,èö > 50 04 2C E8 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001ADEB55CC20, 16 bytes long.
Data: <0 ,èö > 30 04 2C E8 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001ADEB55C400, 16 bytes long.
Data: <à ,èö > E0 02 2C E8 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001ADEB55CEA0, 16 bytes long.
Data: < ,èö > 10 04 2C E8 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001ADEB55CA90, 16 bytes long.
Data: <p ,èö > 70 04 2C E8 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001ADEB55C540, 16 bytes long.
Data: < À*èö > 18 C0 2A E8 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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