Task 38683796
| Name | test_201-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND3663_0 |
| Workunit | 31625341 |
| Created | 27 Oct 2026, 13:21:07 UTC |
| Sent | 27 Oct 2026, 13:21:10 UTC |
| Report deadline | 1 Nov 2026, 13:21:10 UTC |
| Received | 27 Oct 2026, 13:53:42 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 648534 |
| Run time | 25 min |
| CPU time | 25 min |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 56,774.19 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 750.50 MB |
| Peak swap size | 11.54 GB |
| Peak disk usage | 4.00 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:26:22 (27936): wrapper (7.9.26016): starting
14:26:22 (27936): 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
14:26:23 (27936): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:26:23 (27936): 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\16\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\16\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
14:53:07 (27936): C:/Windows/system32/cmd.exe exited; CPU time 1500.718750
14:53:07 (27936): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 36122161 bytes.
Dumping objects ->
{3835281} normal block at 0x0000023E07F0BCA0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835270} normal block at 0x0000023E07F0C100, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835259} normal block at 0x0000023E07F0BE60, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835248} normal block at 0x0000023E06293C50, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835237} normal block at 0x0000023E06293BE0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835206} normal block at 0x0000023E07F58F10, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835195} normal block at 0x0000023E07F6D5D0, 102 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) : {3835192} normal block at 0x0000023E0628EDB0, 8 bytes long.
Data: < > > 00 00 20 06 3E 02 00 00
{3834568} normal block at 0x0000023E07F6DE10, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833963} normal block at 0x0000023E0628F670, 8 bytes long.
Data: <ðÛ' > > F0 DB 27 06 3E 02 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000023E06287180, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000023E06288370, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x0000023E06294B70, 16 bytes long.
Data: <ÈW) > > C8 57 29 06 3E 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000023E06294A30, 16 bytes long.
Data: < W) > > A0 57 29 06 3E 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000023E06290010, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x0000023E06295430, 16 bytes long.
Data: <xW) > > 78 57 29 06 3E 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000023E062953E0, 16 bytes long.
Data: <PW) > > 50 57 29 06 3E 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000023E06294C10, 16 bytes long.
Data: <(W) > > 28 57 29 06 3E 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000023E06294990, 16 bytes long.
Data: < W) > > 00 57 29 06 3E 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000023E06293FD0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x0000023E06295070, 16 bytes long.
Data: < è( > > 88 E8 28 06 3E 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000023E0628FD70, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x0000023E062948A0, 16 bytes long.
Data: <`è( > > 60 E8 28 06 3E 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000023E06295390, 16 bytes long.
Data: <8è( > > 38 E8 28 06 3E 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000023E06295250, 16 bytes long.
Data: < è( > > 10 E8 28 06 3E 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000023E06294E90, 16 bytes long.
Data: <èç( > > E8 E7 28 06 3E 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000023E06294850, 16 bytes long.
Data: <Àç( > > C0 E7 28 06 3E 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000023E06294940, 16 bytes long.
Data: < ç( > > 98 E7 28 06 3E 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000023E0628FE90, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x0000023E06294800, 16 bytes long.
Data: <pç( > > 70 E7 28 06 3E 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000023E0628E770, 320 bytes long.
Data: < H) > þ( > > 00 48 29 06 3E 02 00 00 90 FE 28 06 3E 02 00 00
{277} normal block at 0x0000023E06295200, 16 bytes long.
Data: <àV) > > E0 56 29 06 3E 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000023E062947B0, 16 bytes long.
Data: <¸V) > > B8 56 29 06 3E 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000023E0628FFB0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x0000023E06294760, 16 bytes long.
Data: < V) > > 90 56 29 06 3E 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000023E06290370, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x0000023E06295340, 16 bytes long.
Data: <ØU) > > D8 55 29 06 3E 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000023E06294710, 16 bytes long.
Data: <°U) > > B0 55 29 06 3E 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000023E06294F30, 16 bytes long.
Data: < U) > > 88 55 29 06 3E 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000023E062952F0, 16 bytes long.
Data: <`U) > > 60 55 29 06 3E 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000023E06294530, 16 bytes long.
Data: <8U) > > 38 55 29 06 3E 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000023E062952A0, 16 bytes long.
Data: < U) > > 10 55 29 06 3E 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000023E062949E0, 16 bytes long.
Data: <°9) > > B0 39 29 06 3E 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000023E062939B0, 40 bytes long.
Data: <àI) > õ > > E0 49 29 06 3E 02 00 00 10 8F F5 07 3E 02 00 00
{263} normal block at 0x0000023E062948F0, 16 bytes long.
Data: <ðT) > > F0 54 29 06 3E 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000023E06294CB0, 16 bytes long.
Data: <ÈT) > > C8 54 29 06 3E 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000023E0628FBF0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x0000023E06294B20, 16 bytes long.
Data: < T) > > A0 54 29 06 3E 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000023E062954A0, 992 bytes long.
Data: < K) > ðû( > > 20 4B 29 06 3E 02 00 00 F0 FB 28 06 3E 02 00 00
{95} normal block at 0x0000023E0628FE30, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x0000023E0628F120, 16 bytes long.
Data: <`?) > > 60 3F 29 06 3E 02 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x0000023E06293F60, 40 bytes long.
Data: < ñ( > 0þ( > > 20 F1 28 06 3E 02 00 00 30 FE 28 06 3E 02 00 00
{72} normal block at 0x0000023E0628EA40, 16 bytes long.
Data: < ê iö > 80 EA 01 69 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000023E0628E9F0, 16 bytes long.
Data: <@é iö > 40 E9 01 69 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000023E0628EAE0, 16 bytes long.
Data: <øWþhö > F8 57 FE 68 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000023E0628F1C0, 16 bytes long.
Data: <ØWþhö > D8 57 FE 68 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000023E0628EC20, 16 bytes long.
Data: <P þhö > 50 04 FE 68 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000023E0628E9A0, 16 bytes long.
Data: <0 þhö > 30 04 FE 68 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000023E0628EFE0, 16 bytes long.
Data: <à þhö > E0 02 FE 68 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000023E0628F030, 16 bytes long.
Data: < þhö > 10 04 FE 68 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000023E0628ED10, 16 bytes long.
Data: <p þhö > 70 04 FE 68 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000023E0628F7B0, 16 bytes long.
Data: < Àühö > 18 C0 FC 68 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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