Task 38676867
| Name | test_475-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND3184_0 |
| Workunit | 31618760 |
| Created | 26 Oct 2026, 12:34:32 UTC |
| Sent | 26 Oct 2026, 12:34:38 UTC |
| Report deadline | 31 Oct 2026, 12:34:38 UTC |
| Received | 26 Oct 2026, 13:17:00 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 185928 |
| Run time | 21 min 56 sec |
| CPU time | 20 min 58 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 36,775.47 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 743.25 MB |
| Peak swap size | 12.98 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:55:42 (52020): wrapper (7.9.26016): starting
08:55:42 (52020): 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
08:55:43 (52020): Library/usr/bin/tar.exe exited; CPU time 0.015625
08:55:43 (52020): 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 'G:\BoincData\slots\14\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 'G:\BoincData\slots\14\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
09:16:45 (52020): C:/Windows/system32/cmd.exe exited; CPU time 1258.828125
09:16:45 (52020): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 27616093 bytes.
Dumping objects ->
{3835574} normal block at 0x000001D379560A00, 48 bytes long.
Data: <PATH=G:\BoincDat> 50 41 54 48 3D 47 3A 5C 42 6F 69 6E 63 44 61 74
{3835563} normal block at 0x000001D3796AAA70, 32 bytes long.
Data: <HOME=G:\BoincDat> 48 4F 4D 45 3D 47 3A 5C 42 6F 69 6E 63 44 61 74
{3835552} normal block at 0x000001D3796AA2F0, 32 bytes long.
Data: <TMP=G:\BoincData> 54 4D 50 3D 47 3A 5C 42 6F 69 6E 63 44 61 74 61
{3835541} normal block at 0x000001D3796AA6B0, 32 bytes long.
Data: <TEMP=G:\BoincDat> 54 45 4D 50 3D 47 3A 5C 42 6F 69 6E 63 44 61 74
{3835530} normal block at 0x000001D3796A9F30, 32 bytes long.
Data: <TMPDIR=G:\BoincD> 54 4D 50 44 49 52 3D 47 3A 5C 42 6F 69 6E 63 44
{3835499} normal block at 0x000001D379560DF0, 48 bytes long.
Data: <PATH=G:\BoincDat> 50 41 54 48 3D 47 3A 5C 42 6F 69 6E 63 44 61 74
..\api\boinc_api.cpp(309) : {3835486} normal block at 0x000001D3779DF960, 8 bytes long.
Data: < –wÓ > 00 00 96 77 D3 01 00 00
{3833957} normal block at 0x000001D3779DFAA0, 8 bytes long.
Data: <°ÈnyÓ > B0 C8 6E 79 D3 01 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001D3779E1CD0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001D3779DA330, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x000001D3779ECBC0, 16 bytes long.
Data: <XÞžwÓ > 58 DE 9E 77 D3 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001D3779ED0C0, 16 bytes long.
Data: <0ÞžwÓ > 30 DE 9E 77 D3 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001D3779E9A60, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x000001D3779ED890, 16 bytes long.
Data: < ÞžwÓ > 08 DE 9E 77 D3 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001D3779ED340, 16 bytes long.
Data: <àÝžwÓ > E0 DD 9E 77 D3 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001D3779ECCB0, 16 bytes long.
Data: <¸ÝžwÓ > B8 DD 9E 77 D3 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001D3779ECF30, 16 bytes long.
Data: < ÝžwÓ > 90 DD 9E 77 D3 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001D3779E6D10, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x000001D3779ED2A0, 16 bytes long.
Data: <x‹ wÓ > 78 8B 9D 77 D3 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001D3779E9940, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x000001D3779EDA70, 16 bytes long.
Data: <P‹ wÓ > 50 8B 9D 77 D3 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001D3779ED7A0, 16 bytes long.
Data: <(‹ wÓ > 28 8B 9D 77 D3 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001D3779ED840, 16 bytes long.
Data: < ‹ wÓ > 00 8B 9D 77 D3 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001D3779ED6B0, 16 bytes long.
Data: <ØŠ wÓ > D8 8A 9D 77 D3 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001D3779ED7F0, 16 bytes long.
Data: <°Š wÓ > B0 8A 9D 77 D3 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001D3779ED200, 16 bytes long.
Data: < Š wÓ > 88 8A 9D 77 D3 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001D3779E9BE0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x000001D3779ED750, 16 bytes long.
Data: <`Š wÓ > 60 8A 9D 77 D3 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001D3779D8A60, 320 bytes long.
Data: <PמwÓ à›žwÓ > 50 D7 9E 77 D3 01 00 00 E0 9B 9E 77 D3 01 00 00
{274} normal block at 0x000001D3779ED660, 16 bytes long.
Data: <pÝžwÓ > 70 DD 9E 77 D3 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001D3779ECDA0, 16 bytes long.
Data: <HÝžwÓ > 48 DD 9E 77 D3 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001D3779E9F40, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x000001D3779ED3E0, 16 bytes long.
Data: < ÝžwÓ > 20 DD 9E 77 D3 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001D3779E9880, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x000001D3779ED430, 16 bytes long.
Data: <hÜžwÓ > 68 DC 9E 77 D3 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001D3779ECB70, 16 bytes long.
Data: <@ÜžwÓ > 40 DC 9E 77 D3 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001D3779ECD00, 16 bytes long.
Data: < ÜžwÓ > 18 DC 9E 77 D3 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001D3779ED610, 16 bytes long.
Data: <ðÛžwÓ > F0 DB 9E 77 D3 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001D3779ED1B0, 16 bytes long.
Data: <ÈÛžwÓ > C8 DB 9E 77 D3 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001D3779ED250, 16 bytes long.
Data: < ÛžwÓ > A0 DB 9E 77 D3 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001D3779ECC60, 16 bytes long.
Data: <pjžwÓ > 70 6A 9E 77 D3 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001D3779E6A70, 40 bytes long.
Data: <`ÌžwÓ ð VyÓ > 60 CC 9E 77 D3 01 00 00 F0 0D 56 79 D3 01 00 00
{260} normal block at 0x000001D3779ECF80, 16 bytes long.
Data: < ÛžwÓ > 80 DB 9E 77 D3 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001D3779ED110, 16 bytes long.
Data: <XÛžwÓ > 58 DB 9E 77 D3 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001D3779E9CA0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x000001D3779ED980, 16 bytes long.
Data: <0ÛžwÓ > 30 DB 9E 77 D3 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001D3779EDB30, 992 bytes long.
Data: < ÙžwÓ  œžwÓ > 80 D9 9E 77 D3 01 00 00 A0 9C 9E 77 D3 01 00 00
{92} normal block at 0x000001D3779E9A00, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x000001D3779DF410, 16 bytes long.
Data: <ÐnžwÓ > D0 6E 9E 77 D3 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000001D3779E6ED0, 40 bytes long.
Data: < ô wÓ šžwÓ > 10 F4 9D 77 D3 01 00 00 00 9A 9E 77 D3 01 00 00
{69} normal block at 0x000001D3779DF3C0, 16 bytes long.
Data: < ê~ ö > 80 EA 7E 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001D3779DF1E0, 16 bytes long.
Data: <@é~ ö > 40 E9 7E 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001D3779DFA50, 16 bytes long.
Data: <øW{ ö > F8 57 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001D3779DFBE0, 16 bytes long.
Data: <ØW{ ö > D8 57 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001D3779DF870, 16 bytes long.
Data: <P { ö > 50 04 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001D3779DF8C0, 16 bytes long.
Data: <0 { ö > 30 04 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001D3779DF7D0, 16 bytes long.
Data: <à { ö > E0 02 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001D3779DF320, 16 bytes long.
Data: < { ö > 10 04 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001D3779DF190, 16 bytes long.
Data: <p { ö > 70 04 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001D3779DF5A0, 16 bytes long.
Data: < Ày ö > 18 C0 79 1E F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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