Task 38687129
| Name | test_721-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND5509_0 |
| Workunit | 31628535 |
| Created | 28 Oct 2026, 6:09:42 UTC |
| Sent | 28 Oct 2026, 6:09:47 UTC |
| Report deadline | 2 Nov 2026, 6:09:47 UTC |
| Received | 28 Oct 2026, 6:46:48 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 630608 |
| Run time | 34 min 14 sec |
| CPU time | 31 min 55 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 83,070.51 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 736.22 MB |
| Peak swap size | 13.15 GB |
| Peak disk usage | 3.74 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
00:12:37 (40364): wrapper (7.9.26016): starting
00:12:37 (40364): 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
00:12:39 (40364): Library/usr/bin/tar.exe exited; CPU time 0.015625
00:12:39 (40364): 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 'D:\BOINC\slots\64\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 'D:\BOINC\slots\64\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
00:45:05 (40364): C:/Windows/system32/cmd.exe exited; CPU time 1915.812500
00:45:05 (40364): called boinc_finish(0)
0 bytes in 0 Free Blocks.
546 bytes in 8 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: 39960305 bytes.
Dumping objects ->
{3835291} normal block at 0x000001AEBE0B7340, 48 bytes long.
Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835280} normal block at 0x000001AEBE0F2200, 32 bytes long.
Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835269} normal block at 0x000001AEBE0F2B00, 32 bytes long.
Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F
{3835258} normal block at 0x000001AEBE0F2920, 32 bytes long.
Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835247} normal block at 0x000001AEBE0F1F00, 32 bytes long.
Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C
{3835216} normal block at 0x000001AEBE0B68C0, 48 bytes long.
Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835205} normal block at 0x000001AEBB4AD840, 185 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
..\api\boinc_api.cpp(309) : {3835202} normal block at 0x000001AEBB4B7D10, 8 bytes long.
Data: < †»® > 00 00 86 BB AE 01 00 00
{3834572} normal block at 0x000001AEBB4C2250, 185 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833945} normal block at 0x000001AEBB4B7DB0, 8 bytes long.
Data: < F ¾® > A0 46 0B BE AE 01 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000001AEBB4C2390, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001AEBB4AA180, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{288} normal block at 0x000001AEBB4C3420, 16 bytes long.
Data: <xGL»® > 78 47 4C BB AE 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001AEBB4C33D0, 16 bytes long.
Data: <PGL»® > 50 47 4C BB AE 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001AEBB4BF0E0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{285} normal block at 0x000001AEBB4C3380, 16 bytes long.
Data: <(GL»® > 28 47 4C BB AE 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001AEBB4C3880, 16 bytes long.
Data: < GL»® > 00 47 4C BB AE 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001AEBB4C3330, 16 bytes long.
Data: <ØFL»® > D8 46 4C BB AE 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001AEBB4C32E0, 16 bytes long.
Data: <°FL»® > B0 46 4C BB AE 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001AEBB4BDE80, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{280} normal block at 0x000001AEBB4C4230, 16 bytes long.
Data: < ¡J»® > 18 A1 4A BB AE 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001AEBB4BF320, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{278} normal block at 0x000001AEBB4C41E0, 16 bytes long.
Data: <ð J»® > F0 A0 4A BB AE 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001AEBB4C40F0, 16 bytes long.
Data: <È J»® > C8 A0 4A BB AE 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001AEBB4C4050, 16 bytes long.
Data: <  J»® > A0 A0 4A BB AE 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001AEBB4C4000, 16 bytes long.
Data: <x J»® > 78 A0 4A BB AE 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001AEBB4C3FB0, 16 bytes long.
Data: <P J»® > 50 A0 4A BB AE 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001AEBB4C3DD0, 16 bytes long.
Data: <( J»® > 28 A0 4A BB AE 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001AEBB4BF020, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{270} normal block at 0x000001AEBB4C3830, 16 bytes long.
Data: <  J»® > 00 A0 4A BB AE 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001AEBB4AA000, 320 bytes long.
Data: <08L»® ðK»® > 30 38 4C BB AE 01 00 00 20 F0 4B BB AE 01 00 00
{268} normal block at 0x000001AEBB4C36A0, 16 bytes long.
Data: < FL»® > 90 46 4C BB AE 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001AEBB4C3650, 16 bytes long.
Data: <hFL»® > 68 46 4C BB AE 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001AEBB4BF260, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{265} normal block at 0x000001AEBB4C3CE0, 16 bytes long.
Data: <@FL»® > 40 46 4C BB AE 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001AEBB4BF4A0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{263} normal block at 0x000001AEBB4C3D30, 16 bytes long.
Data: < EL»® > 88 45 4C BB AE 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001AEBB4C3C90, 16 bytes long.
Data: <`EL»® > 60 45 4C BB AE 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001AEBB4C3BA0, 16 bytes long.
Data: <8EL»® > 38 45 4C BB AE 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001AEBB4C3C40, 16 bytes long.
Data: < EL»® > 10 45 4C BB AE 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001AEBB4C3B50, 16 bytes long.
Data: <èDL»® > E8 44 4C BB AE 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001AEBB4C34C0, 16 bytes long.
Data: <ÀDL»® > C0 44 4C BB AE 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001AEBB4C3B00, 16 bytes long.
Data: <ð×K»® > F0 D7 4B BB AE 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001AEBB4BD7F0, 40 bytes long.
Data: < ;L»® Àh ¾® > 00 3B 4C BB AE 01 00 00 C0 68 0B BE AE 01 00 00
{254} normal block at 0x000001AEBB4C37E0, 16 bytes long.
Data: < DL»® > A0 44 4C BB AE 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001AEBB4C3F60, 16 bytes long.
Data: <xDL»® > 78 44 4C BB AE 01 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x000001AEBB4BECC0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{251} normal block at 0x000001AEBB4C3A60, 16 bytes long.
Data: <PDL»® > 50 44 4C BB AE 01 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x000001AEBB4C4450, 992 bytes long.
Data: <`:L»® ÀìK»® > 60 3A 4C BB AE 01 00 00 C0 EC 4B BB AE 01 00 00
{86} normal block at 0x000001AEBB4BF2C0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{85} normal block at 0x000001AEBB4B7A90, 16 bytes long.
Data: < ÝK»® > A0 DD 4B BB AE 01 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x000001AEBB4BDDA0, 40 bytes long.
Data: < zK»® ÀòK»® > 90 7A 4B BB AE 01 00 00 C0 F2 4B BB AE 01 00 00
{63} normal block at 0x000001AEBB4B79A0, 16 bytes long.
Data: < ê\1ö > 80 EA 5C 31 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001AEBB4B85D0, 16 bytes long.
Data: <@é\1ö > 40 E9 5C 31 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001AEBB4B8210, 16 bytes long.
Data: <øWY1ö > F8 57 59 31 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001AEBB4B7A40, 16 bytes long.
Data: <ØWY1ö > D8 57 59 31 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001AEBB4B7AE0, 16 bytes long.
Data: <P Y1ö > 50 04 59 31 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001AEBB4B7900, 16 bytes long.
Data: <0 Y1ö > 30 04 59 31 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001AEBB4B8030, 16 bytes long.
Data: <à Y1ö > E0 02 59 31 F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000001AEBB4B8760, 16 bytes long.
Data: < Y1ö > 10 04 59 31 F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000001AEBB4B8440, 16 bytes long.
Data: <p Y1ö > 70 04 59 31 F6 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x000001AEBB4B78B0, 16 bytes long.
Data: < ÀW1ö > 18 C0 57 31 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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