Task 38648249
| Name | test_83-GPUGRID_TEST_ATM_40STEP_20261023-0-40-RND0085_0 |
| Workunit | 31592958 |
| Created | 23 Oct 2026, 20:35:31 UTC |
| Sent | 23 Oct 2026, 23:11:22 UTC |
| Report deadline | 28 Oct 2026, 23:11:22 UTC |
| Received | 24 Oct 2026, 0:00:22 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 629480 |
| Run time | 23 min 10 sec |
| CPU time | 21 min 20 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 22,590.50 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 753.95 MB |
| Peak swap size | 9.91 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
18:38:11 (21096): wrapper (7.9.26016): starting
18:38:11 (21096): 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
18:38:12 (21096): Library/usr/bin/tar.exe exited; CPU time 0.015625
18:38:12 (21096): 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\1\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\1\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
19:00:02 (21096): C:/Windows/system32/cmd.exe exited; CPU time 1280.937500
19:00:02 (21096): 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: 28165697 bytes.
Dumping objects ->
{3835519} normal block at 0x000001D9B7499620, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835508} normal block at 0x000001D9B74993F0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835497} normal block at 0x000001D9B7499700, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835486} normal block at 0x000001D9B56E4910, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835475} normal block at 0x000001D9B56E48A0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835444} normal block at 0x000001D9B74AA080, 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) : {3835431} normal block at 0x000001D9B56DF470, 8 bytes long.
Data: < ÚµÙ > 00 00 DA B5 D9 01 00 00
{3833959} normal block at 0x000001D9B56DEC00, 8 bytes long.
Data: < YP·Ù > A0 59 50 B7 D9 01 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001D9B56E0CC0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001D9B56D5DC0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x000001D9B56E5B60, 16 bytes long.
Data: <ØenµÙ > D8 65 6E B5 D9 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001D9B56E5F70, 16 bytes long.
Data: <°enµÙ > B0 65 6E B5 D9 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001D9B56DF9F0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x000001D9B56E6240, 16 bytes long.
Data: < enµÙ > 88 65 6E B5 D9 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001D9B56E5E80, 16 bytes long.
Data: <`enµÙ > 60 65 6E B5 D9 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001D9B56E57A0, 16 bytes long.
Data: <8enµÙ > 38 65 6E B5 D9 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001D9B56E5ED0, 16 bytes long.
Data: < enµÙ > 10 65 6E B5 D9 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001D9B56E4A60, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x000001D9B56E5C50, 16 bytes long.
Data: <èµlµÙ > E8 B5 6C B5 D9 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001D9B56DF810, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x000001D9B56E61F0, 16 bytes long.
Data: <ÀµlµÙ > C0 B5 6C B5 D9 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001D9B56E5340, 16 bytes long.
Data: < µlµÙ > 98 B5 6C B5 D9 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001D9B56E5890, 16 bytes long.
Data: <pµlµÙ > 70 B5 6C B5 D9 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001D9B56E5660, 16 bytes long.
Data: <HµlµÙ > 48 B5 6C B5 D9 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001D9B56E52F0, 16 bytes long.
Data: < µlµÙ > 20 B5 6C B5 D9 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001D9B56E5AC0, 16 bytes long.
Data: <ø´lµÙ > F8 B4 6C B5 D9 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001D9B56E0230, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x000001D9B56E5430, 16 bytes long.
Data: <дlµÙ > D0 B4 6C B5 D9 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001D9B56CB4D0, 320 bytes long.
Data: <0TnµÙ 0 nµÙ > 30 54 6E B5 D9 01 00 00 30 02 6E B5 D9 01 00 00
{275} normal block at 0x000001D9B56E6150, 16 bytes long.
Data: <ðdnµÙ > F0 64 6E B5 D9 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001D9B56E5DE0, 16 bytes long.
Data: <ÈdnµÙ > C8 64 6E B5 D9 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001D9B56DFBD0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x000001D9B56E5E30, 16 bytes long.
Data: < dnµÙ > A0 64 6E B5 D9 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001D9B56DFE10, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x000001D9B56E5BB0, 16 bytes long.
Data: <ècnµÙ > E8 63 6E B5 D9 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001D9B56E61A0, 16 bytes long.
Data: <ÀcnµÙ > C0 63 6E B5 D9 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001D9B56E6100, 16 bytes long.
Data: < cnµÙ > 98 63 6E B5 D9 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001D9B56E5930, 16 bytes long.
Data: <pcnµÙ > 70 63 6E B5 D9 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001D9B56E5F20, 16 bytes long.
Data: <HcnµÙ > 48 63 6E B5 D9 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001D9B56E5840, 16 bytes long.
Data: < cnµÙ > 20 63 6E B5 D9 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001D9B56E53E0, 16 bytes long.
Data: < LnµÙ > 20 4C 6E B5 D9 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001D9B56E4C20, 40 bytes long.
Data: <àSnµÙ  J·Ù > E0 53 6E B5 D9 01 00 00 80 A0 4A B7 D9 01 00 00
{261} normal block at 0x000001D9B56E5A70, 16 bytes long.
Data: < cnµÙ > 00 63 6E B5 D9 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001D9B56E6010, 16 bytes long.
Data: <ØbnµÙ > D8 62 6E B5 D9 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001D9B56DFF30, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x000001D9B56E5D40, 16 bytes long.
Data: <°bnµÙ > B0 62 6E B5 D9 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001D9B56E62B0, 992 bytes long.
Data: <@]nµÙ 0ÿmµÙ > 40 5D 6E B5 D9 01 00 00 30 FF 6D B5 D9 01 00 00
{93} normal block at 0x000001D9B56E0590, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x000001D9B56DEA20, 16 bytes long.
Data: <ðInµÙ > F0 49 6E B5 D9 01 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x000001D9B56E49F0, 40 bytes long.
Data: < êmµÙ nµÙ > 20 EA 6D B5 D9 01 00 00 90 05 6E B5 D9 01 00 00
{70} normal block at 0x000001D9B56DF1F0, 16 bytes long.
Data: < ê  ÷ > 80 EA 16 A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001D9B56DEBB0, 16 bytes long.
Data: <@é  ÷ > 40 E9 16 A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001D9B56DF380, 16 bytes long.
Data: <øW  ÷ > F8 57 13 A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001D9B56DF150, 16 bytes long.
Data: <ØW  ÷ > D8 57 13 A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001D9B56DF330, 16 bytes long.
Data: <P  ÷ > 50 04 13 A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001D9B56DE7F0, 16 bytes long.
Data: <0  ÷ > 30 04 13 A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001D9B56DE9D0, 16 bytes long.
Data: <à  ÷ > E0 02 13 A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001D9B56DECF0, 16 bytes long.
Data: <  ÷ > 10 04 13 A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001D9B56DF560, 16 bytes long.
Data: <p  ÷ > 70 04 13 A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001D9B56DF650, 16 bytes long.
Data: < À  ÷ > 18 C0 11 A0 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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