Task 38648226
| Name | test_62-GPUGRID_TEST_ATM_40STEP_20261023-0-40-RND0522_0 |
| Workunit | 31592935 |
| Created | 23 Oct 2026, 20:34:49 UTC |
| Sent | 23 Oct 2026, 22:57:01 UTC |
| Report deadline | 28 Oct 2026, 22:57:01 UTC |
| Received | 23 Oct 2026, 23:35:48 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 622627 |
| Run time | 37 min 29 sec |
| CPU time | 34 min 2 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 20,317.22 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 720.66 MB |
| Peak swap size | 9.92 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
19:58:50 (11180): wrapper (7.9.26016): starting
19:58:50 (11180): 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
19:58:51 (11180): Library/usr/bin/tar.exe exited; CPU time 0.031250
19:58:51 (11180): 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\2\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\2\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
20:35:06 (11180): C:/Windows/system32/cmd.exe exited; CPU time 2042.703125
20:35:06 (11180): 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: 37505359 bytes.
Dumping objects ->
{3835223} normal block at 0x000001E4BC830D10, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835212} normal block at 0x000001E4BC8307D0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835201} normal block at 0x000001E4BC8316B0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835190} normal block at 0x000001E4BC830CA0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835179} normal block at 0x000001E4BC8311E0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835148} normal block at 0x000001E4BC8DB580, 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) : {3835135} normal block at 0x000001E4BACCCC80, 8 bytes long.
Data: < 漊 > 00 00 CA BA E4 01 00 00
{3833977} normal block at 0x000001E4BACCC960, 8 bytes long.
Data: <P냼ä > 50 EB 83 BC E4 01 00 00
..\zip\boinc_zip.cpp(122) : {320} normal block at 0x000001E4BACCDCC0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{305} normal block at 0x000001E4BACC6E80, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{304} normal block at 0x000001E4BACD48B0, 16 bytes long.
Data: <èUͺä > E8 55 CD BA E4 01 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x000001E4BACD42C0, 16 bytes long.
Data: <ÀUͺä > C0 55 CD BA E4 01 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x000001E4BACCEE60, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{301} normal block at 0x000001E4BACD4AE0, 16 bytes long.
Data: < U꼊 > 98 55 CD BA E4 01 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001E4BACD3F50, 16 bytes long.
Data: <pU꼊 > 70 55 CD BA E4 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001E4BACD3F00, 16 bytes long.
Data: <HU꼊 > 48 55 CD BA E4 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001E4BACD46D0, 16 bytes long.
Data: < U꼊 > 20 55 CD BA E4 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001E4BACCF7A0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{296} normal block at 0x000001E4BACD4DB0, 16 bytes long.
Data: < =꼊 > 98 3D CD BA E4 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001E4BACCE7A0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{294} normal block at 0x000001E4BACD4A40, 16 bytes long.
Data: <p=꼊 > 70 3D CD BA E4 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001E4BACD49A0, 16 bytes long.
Data: <H=꼊 > 48 3D CD BA E4 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001E4BACD4D10, 16 bytes long.
Data: < =꼊 > 20 3D CD BA E4 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001E4BACD4CC0, 16 bytes long.
Data: <ø<ͺä > F8 3C CD BA E4 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001E4BACD4040, 16 bytes long.
Data: <Ð<ͺä > D0 3C CD BA E4 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001E4BACD4E00, 16 bytes long.
Data: <¨<ͺä > A8 3C CD BA E4 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001E4BACCF3A0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{286} normal block at 0x000001E4BACD4810, 16 bytes long.
Data: < <꼊 > 80 3C CD BA E4 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001E4BACD3C80, 320 bytes long.
Data: < HÍºä  ó̺ä > 10 48 CD BA E4 01 00 00 A0 F3 CC BA E4 01 00 00
{284} normal block at 0x000001E4BACD4A90, 16 bytes long.
Data: < U꼊 > 00 55 CD BA E4 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001E4BACD4270, 16 bytes long.
Data: <ØTͺä > D8 54 CD BA E4 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001E4BACCEF80, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{281} normal block at 0x000001E4BACD4450, 16 bytes long.
Data: <°Tͺä > B0 54 CD BA E4 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001E4BACCE6E0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{279} normal block at 0x000001E4BACD49F0, 16 bytes long.
Data: <øSͺä > F8 53 CD BA E4 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001E4BACD43B0, 16 bytes long.
Data: <ÐSͺä > D0 53 CD BA E4 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001E4BACD4360, 16 bytes long.
Data: <¨Sͺä > A8 53 CD BA E4 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001E4BACD4180, 16 bytes long.
Data: < S꼊 > 80 53 CD BA E4 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001E4BACD47C0, 16 bytes long.
Data: <XS꼊 > 58 53 CD BA E4 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001E4BACD4310, 16 bytes long.
Data: <0S꼊 > 30 53 CD BA E4 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001E4BACD4E50, 16 bytes long.
Data: < ø̺ä > 10 F8 CC BA E4 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001E4BACCF810, 40 bytes long.
Data: <PNÍºä µ ¼ä > 50 4E CD BA E4 01 00 00 80 B5 8D BC E4 01 00 00
{270} normal block at 0x000001E4BACD4C20, 16 bytes long.
Data: < S꼊 > 10 53 CD BA E4 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001E4BACD4950, 16 bytes long.
Data: <èRͺä > E8 52 CD BA E4 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001E4BACCEE00, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{267} normal block at 0x000001E4BACD4BD0, 16 bytes long.
Data: <ÀRͺä > C0 52 CD BA E4 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001E4BACD52C0, 992 bytes long.
Data: <ÐKͺä î̺ä > D0 4B CD BA E4 01 00 00 00 EE CC BA E4 01 00 00
{102} normal block at 0x000001E4BACCE620, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{101} normal block at 0x000001E4BACCC870, 16 bytes long.
Data: <0÷̺ä > 30 F7 CC BA E4 01 00 00 00 00 00 00 00 00 00 00
{100} normal block at 0x000001E4BACCF730, 40 bytes long.
Data: <pÈ̺ä æ̺ä > 70 C8 CC BA E4 01 00 00 20 E6 CC BA E4 01 00 00
{79} normal block at 0x000001E4BACCC820, 16 bytes long.
Data: < ê+’ö > 80 EA 2B 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{78} normal block at 0x000001E4BACCC6E0, 16 bytes long.
Data: <@é+’ö > 40 E9 2B 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x000001E4BACCC8C0, 16 bytes long.
Data: <øW(’ö > F8 57 28 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x000001E4BACCC1E0, 16 bytes long.
Data: <ØW(’ö > D8 57 28 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x000001E4BACCCD70, 16 bytes long.
Data: <P (’ö > 50 04 28 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000001E4BACCC910, 16 bytes long.
Data: <0 (’ö > 30 04 28 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001E4BACCCE10, 16 bytes long.
Data: <à (’ö > E0 02 28 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001E4BACCC500, 16 bytes long.
Data: < (’ö > 10 04 28 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001E4BACCC690, 16 bytes long.
Data: <p (’ö > 70 04 28 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001E4BACCCC30, 16 bytes long.
Data: < À&’ö > 18 C0 26 92 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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