Task 38673160
| Name | test_975-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND4681_0 |
| Workunit | 31615259 |
| Created | 26 Oct 2026, 1:40:50 UTC |
| Sent | 26 Oct 2026, 1:40:54 UTC |
| Report deadline | 31 Oct 2026, 1:40:54 UTC |
| Received | 26 Oct 2026, 2:03:07 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 185928 |
| Run time | 21 min 40 sec |
| CPU time | 20 min 50 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 | 751.45 MB |
| Peak swap size | 12.99 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:41:55 (20260): wrapper (7.9.26016): starting
21:41:55 (20260): 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
21:41:56 (20260): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:41:56 (20260): 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\13\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\13\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
22:02:46 (20260): C:/Windows/system32/cmd.exe exited; CPU time 1250.296875
22:02:46 (20260): 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: 26584043 bytes.
Dumping objects ->
{3835574} normal block at 0x0000016599151250, 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 0x0000016599295050, 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 0x0000016599296550, 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 0x00000165992962B0, 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 0x0000016599295650, 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 0x0000016599151170, 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 0x000001659750CB20, 8 bytes long.
Data: < K—e > 00 00 4B 97 65 01 00 00
{3833957} normal block at 0x000001659750D660, 8 bytes long.
Data: < bP—e > 10 62 50 97 65 01 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000165975117D0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000016597506A50, 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 0x000001659751CB10, 16 bytes long.
Data: <h×Q—e > 68 D7 51 97 65 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001659751CAC0, 16 bytes long.
Data: <@×Q—e > 40 D7 51 97 65 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000016597519E30, 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 0x000001659751CE80, 16 bytes long.
Data: < ×Q—e > 18 D7 51 97 65 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001659751D060, 16 bytes long.
Data: <ðÖQ—e > F0 D6 51 97 65 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001659751C9D0, 16 bytes long.
Data: <ÈÖQ—e > C8 D6 51 97 65 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001659751CE30, 16 bytes long.
Data: < ÖQ—e > A0 D6 51 97 65 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000165975189F0, 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 0x000001659751C520, 16 bytes long.
Data: < —P—e > 08 97 50 97 65 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000016597519710, 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 0x000001659751CD90, 16 bytes long.
Data: <à–P—e > E0 96 50 97 65 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001659751CD40, 16 bytes long.
Data: <¸–P—e > B8 96 50 97 65 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001659751C930, 16 bytes long.
Data: < –P—e > 90 96 50 97 65 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001659751D1A0, 16 bytes long.
Data: <h–P—e > 68 96 50 97 65 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001659751C980, 16 bytes long.
Data: <@–P—e > 40 96 50 97 65 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001659751CC50, 16 bytes long.
Data: < –P—e > 18 96 50 97 65 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000016597519DD0, 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 0x000001659751CF20, 16 bytes long.
Data: <ð•P—e > F0 95 50 97 65 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000165975095F0, 320 bytes long.
Data: < ÏQ—e Ð Q—e > 20 CF 51 97 65 01 00 00 D0 9D 51 97 65 01 00 00
{274} normal block at 0x000001659751C8E0, 16 bytes long.
Data: < ÖQ—e > 80 D6 51 97 65 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001659751C890, 16 bytes long.
Data: <XÖQ—e > 58 D6 51 97 65 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000016597519050, 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 0x000001659751C700, 16 bytes long.
Data: <0ÖQ—e > 30 D6 51 97 65 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000165975194D0, 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 0x000001659751C6B0, 16 bytes long.
Data: <xÕQ—e > 78 D5 51 97 65 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001659751C840, 16 bytes long.
Data: <PÕQ—e > 50 D5 51 97 65 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001659751C4D0, 16 bytes long.
Data: <(ÕQ—e > 28 D5 51 97 65 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001659751CCF0, 16 bytes long.
Data: < ÕQ—e > 00 D5 51 97 65 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001659751C480, 16 bytes long.
Data: <ØÔQ—e > D8 D4 51 97 65 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001659751D290, 16 bytes long.
Data: <°ÔQ—e > B0 D4 51 97 65 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001659751D010, 16 bytes long.
Data: <PŽQ—e > 50 8E 51 97 65 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000016597518E50, 40 bytes long.
Data: < ÐQ—e p e > 10 D0 51 97 65 01 00 00 70 11 15 99 65 01 00 00
{260} normal block at 0x000001659751CFC0, 16 bytes long.
Data: < ÔQ—e > 90 D4 51 97 65 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001659751D380, 16 bytes long.
Data: <hÔQ—e > 68 D4 51 97 65 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000165975195F0, 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 0x000001659751D1F0, 16 bytes long.
Data: <@ÔQ—e > 40 D4 51 97 65 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001659751D440, 992 bytes long.
Data: <ðÑQ—e ð•Q—e > F0 D1 51 97 65 01 00 00 F0 95 51 97 65 01 00 00
{92} normal block at 0x0000016597519D70, 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 0x000001659750D390, 16 bytes long.
Data: < ŒQ—e > 90 8C 51 97 65 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x0000016597518C90, 40 bytes long.
Data: < ÓP—e p Q—e > 90 D3 50 97 65 01 00 00 70 9D 51 97 65 01 00 00
{69} normal block at 0x000001659750CA80, 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 0x000001659750D0C0, 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 0x000001659750D7F0, 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 0x000001659750D750, 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 0x000001659750D610, 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 0x000001659750D250, 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 0x000001659750C9E0, 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 0x000001659750D700, 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 0x000001659750D160, 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 0x000001659750D6B0, 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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