Task 38672823
| Name | test_877-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND6011_0 |
| Workunit | 31614938 |
| Created | 26 Oct 2026, 0:35:35 UTC |
| Sent | 26 Oct 2026, 0:35:39 UTC |
| Report deadline | 31 Oct 2026, 0:35:39 UTC |
| Received | 26 Oct 2026, 0:57:27 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 641471 |
| Run time | 20 min 22 sec |
| CPU time | 17 min 52 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 44,609.07 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 726.26 MB |
| Peak swap size | 8.47 GB |
| Peak disk usage | 3.76 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:37:02 (25496): wrapper (7.9.26016): starting
00:37:02 (25496): 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
00:37:04 (25496): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:37:04 (25496): 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\0\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\0\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
00:56:24 (25496): C:/Windows/system32/cmd.exe exited; CPU time 1072.078125
00:56:24 (25496): 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: 19476621 bytes.
Dumping objects ->
{3835253} normal block at 0x00000244BA97A2D0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835242} normal block at 0x00000244BA955070, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835231} normal block at 0x00000244BA955000, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835220} normal block at 0x00000244BA955150, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835209} normal block at 0x00000244BA954F20, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835178} normal block at 0x00000244BC766460, 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) : {3835165} normal block at 0x00000244BA950660, 8 bytes long.
Data: < ߺD > 00 00 DF BA 44 02 00 00
{3833961} normal block at 0x00000244BA9506B0, 8 bytes long.
Data: <ÐI ¼D > D0 49 7F BC 44 02 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000244BA950EF0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000244BA946460, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x00000244BA955C60, 16 bytes long.
Data: <8Y•ºD > 38 59 95 BA 44 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000244BA955C10, 16 bytes long.
Data: < Y•ºD > 10 59 95 BA 44 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000244BA94F110, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x00000244BA956250, 16 bytes long.
Data: <èX•ºD > E8 58 95 BA 44 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000244BA955CB0, 16 bytes long.
Data: <ÀX•ºD > C0 58 95 BA 44 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000244BA956070, 16 bytes long.
Data: < X•ºD > 98 58 95 BA 44 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000244BA9567F0, 16 bytes long.
Data: <pX•ºD > 70 58 95 BA 44 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000244BA954AC0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x00000244BA956480, 16 bytes long.
Data: < 瓺D > 08 E7 93 BA 44 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000244BA94F710, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x00000244BA956700, 16 bytes long.
Data: <à擺D > E0 E6 93 BA 44 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000244BA956340, 16 bytes long.
Data: <¸æ“ºD > B8 E6 93 BA 44 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000244BA955B70, 16 bytes long.
Data: < 擺D > 90 E6 93 BA 44 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000244BA955BC0, 16 bytes long.
Data: <h擺D > 68 E6 93 BA 44 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000244BA955D00, 16 bytes long.
Data: <@擺D > 40 E6 93 BA 44 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000244BA955D50, 16 bytes long.
Data: < 擺D > 18 E6 93 BA 44 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000244BA94F0B0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x00000244BA9560C0, 16 bytes long.
Data: <ð哺D > F0 E5 93 BA 44 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000244BA93E5F0, 320 bytes long.
Data: <À`•ºD °ð”ºD > C0 60 95 BA 44 02 00 00 B0 F0 94 BA 44 02 00 00
{276} normal block at 0x00000244BA956750, 16 bytes long.
Data: <PX•ºD > 50 58 95 BA 44 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000244BA956890, 16 bytes long.
Data: <(X•ºD > 28 58 95 BA 44 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000244BA94F8F0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x00000244BA956840, 16 bytes long.
Data: < X•ºD > 00 58 95 BA 44 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000244BA94ED50, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x00000244BA955B20, 16 bytes long.
Data: <HW•ºD > 48 57 95 BA 44 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000244BA955F30, 16 bytes long.
Data: < W•ºD > 20 57 95 BA 44 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000244BA956020, 16 bytes long.
Data: <øV•ºD > F8 56 95 BA 44 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000244BA9567A0, 16 bytes long.
Data: <ÐV•ºD > D0 56 95 BA 44 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000244BA950110, 16 bytes long.
Data: <¨V•ºD > A8 56 95 BA 44 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000244BA94FDA0, 16 bytes long.
Data: < V•ºD > 80 56 95 BA 44 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000244BA94FCB0, 16 bytes long.
Data: <ðL•ºD > F0 4C 95 BA 44 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000244BA954CF0, 40 bytes long.
Data: <°ü”ºD `dv¼D > B0 FC 94 BA 44 02 00 00 60 64 76 BC 44 02 00 00
{262} normal block at 0x00000244BA94FBC0, 16 bytes long.
Data: <`V•ºD > 60 56 95 BA 44 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000244BA9509D0, 16 bytes long.
Data: <8V•ºD > 38 56 95 BA 44 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000244BA94F050, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x00000244BA950610, 16 bytes long.
Data: < V•ºD > 10 56 95 BA 44 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000244BA955610, 992 bytes long.
Data: < •ºD Pð”ºD > 10 06 95 BA 44 02 00 00 50 F0 94 BA 44 02 00 00
{94} normal block at 0x00000244BA94F4D0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x00000244BA950430, 16 bytes long.
Data: <pÕ“ºD > 70 D5 93 BA 44 02 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x00000244BA93D570, 40 bytes long.
Data: <0 •ºD Ðô”ºD > 30 04 95 BA 44 02 00 00 D0 F4 94 BA 44 02 00 00
{71} normal block at 0x00000244BA9505C0, 16 bytes long.
Data: < êfP÷ > 80 EA 66 50 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000244BA950570, 16 bytes long.
Data: <@éfP÷ > 40 E9 66 50 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000244BA94FFD0, 16 bytes long.
Data: <øWcP÷ > F8 57 63 50 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000244BA950520, 16 bytes long.
Data: <ØWcP÷ > D8 57 63 50 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000244BA950750, 16 bytes long.
Data: <P cP÷ > 50 04 63 50 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000244BA9501B0, 16 bytes long.
Data: <0 cP÷ > 30 04 63 50 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000244BA9507F0, 16 bytes long.
Data: <à cP÷ > E0 02 63 50 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000244BA94FF80, 16 bytes long.
Data: < cP÷ > 10 04 63 50 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000244BA950700, 16 bytes long.
Data: <p cP÷ > 70 04 63 50 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000244BA9507A0, 16 bytes long.
Data: < ÀaP÷ > 18 C0 61 50 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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