Task 38651185
| Name | test_213-GPUGRID_TEST_ATM_40STEP_20261023-0-40-RND4161_1 |
| Workunit | 31593102 |
| Created | 24 Oct 2026, 1:06:02 UTC |
| Sent | 24 Oct 2026, 4:58:48 UTC |
| Report deadline | 29 Oct 2026, 4:58:48 UTC |
| Received | 24 Oct 2026, 8:33:51 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 514949 |
| Run time | 41 min 32 sec |
| CPU time | 39 min 43 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 11,343.40 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 667.43 MB |
| Peak swap size | 5.29 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
02:50:34 (47320): wrapper (7.9.26016): starting
02:50:34 (47320): 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
02:50:57 (47320): Library/usr/bin/tar.exe exited; CPU time 0.140625
02:50:57 (47320): 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:\ProgramData\BOINC\slots\5\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:\ProgramData\BOINC\slots\5\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
03:33:24 (47320): C:/Windows/system32/cmd.exe exited; CPU time 2383.031250
03:33:24 (47320): called boinc_finish(0)
0 bytes in 0 Free Blocks.
526 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: 44150393 bytes.
Dumping objects ->
{3835345} normal block at 0x00000230C4A6BD00, 48 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835334} normal block at 0x00000230C4A6B440, 48 bytes long.
Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835323} normal block at 0x00000230C4A6B3D0, 48 bytes long.
Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835312} normal block at 0x00000230C2F0E4D0, 48 bytes long.
Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835301} normal block at 0x00000230C2F0E8C0, 48 bytes long.
Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61
{3835270} normal block at 0x00000230C4AB3C20, 64 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835259} normal block at 0x00000230C2F78880, 135 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) : {3835256} normal block at 0x00000230C2F08610, 8 bytes long.
Data: < ëÂ0 > 00 00 EB C2 30 02 00 00
{3834604} normal block at 0x00000230C2F790A0, 135 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833949} normal block at 0x00000230C2F08160, 8 bytes long.
Data: <`;´Ä0 > 60 3B B4 C4 30 02 00 00
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x00000230C2F11720, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000230C2EFB7B0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{290} normal block at 0x00000230C2F12DA0, 16 bytes long.
Data: <hMñÂ0 > 68 4D F1 C2 30 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000230C2F12D50, 16 bytes long.
Data: <@MñÂ0 > 40 4D F1 C2 30 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000230C2F0D020, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{287} normal block at 0x00000230C2F12F30, 16 bytes long.
Data: < MñÂ0 > 18 4D F1 C2 30 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000230C2F134D0, 16 bytes long.
Data: <ðLñÂ0 > F0 4C F1 C2 30 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000230C2F12850, 16 bytes long.
Data: <ÈLñÂ0 > C8 4C F1 C2 30 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000230C2F132A0, 16 bytes long.
Data: < LñÂ0 > A0 4C F1 C2 30 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000230C2F0E3F0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{282} normal block at 0x00000230C2F12C60, 16 bytes long.
Data: <hÖïÂ0 > 68 D6 EF C2 30 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000230C2F0CC60, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{280} normal block at 0x00000230C2F12800, 16 bytes long.
Data: <@ÖïÂ0 > 40 D6 EF C2 30 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000230C2F135C0, 16 bytes long.
Data: < ÖïÂ0 > 18 D6 EF C2 30 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000230C2F12710, 16 bytes long.
Data: <ðÕïÂ0 > F0 D5 EF C2 30 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000230C2F12BC0, 16 bytes long.
Data: <ÈÕïÂ0 > C8 D5 EF C2 30 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000230C2F131B0, 16 bytes long.
Data: < ÕïÂ0 > A0 D5 EF C2 30 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000230C2F12E40, 16 bytes long.
Data: <xÕïÂ0 > 78 D5 EF C2 30 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000230C2F0C9C0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{272} normal block at 0x00000230C2F12B70, 16 bytes long.
Data: <PÕïÂ0 > 50 D5 EF C2 30 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000230C2EFD550, 320 bytes long.
Data: <p+ñÂ0 ÀÉðÂ0 > 70 2B F1 C2 30 02 00 00 C0 C9 F0 C2 30 02 00 00
{270} normal block at 0x00000230C2F13250, 16 bytes long.
Data: < LñÂ0 > 80 4C F1 C2 30 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000230C2F13520, 16 bytes long.
Data: <XLñÂ0 > 58 4C F1 C2 30 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000230C2F0CE40, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{267} normal block at 0x00000230C2F13020, 16 bytes long.
Data: <0LñÂ0 > 30 4C F1 C2 30 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000230C2F0D0E0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{265} normal block at 0x00000230C2F12B20, 16 bytes long.
Data: <xKñÂ0 > 78 4B F1 C2 30 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000230C2F128F0, 16 bytes long.
Data: <PKñÂ0 > 50 4B F1 C2 30 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000230C2F13430, 16 bytes long.
Data: <(KñÂ0 > 28 4B F1 C2 30 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000230C2F12AD0, 16 bytes long.
Data: < KñÂ0 > 00 4B F1 C2 30 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000230C2F12A80, 16 bytes long.
Data: <ØJñÂ0 > D8 4A F1 C2 30 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000230C2F12940, 16 bytes long.
Data: <°JñÂ0 > B0 4A F1 C2 30 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000230C2F126C0, 16 bytes long.
Data: <°åðÂ0 > B0 E5 F0 C2 30 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000230C2F0E5B0, 40 bytes long.
Data: <À&ñÂ0 <«Ä0 > C0 26 F1 C2 30 02 00 00 20 3C AB C4 30 02 00 00
{256} normal block at 0x00000230C2F13160, 16 bytes long.
Data: < JñÂ0 > 90 4A F1 C2 30 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x00000230C2F12A30, 16 bytes long.
Data: <hJñÂ0 > 68 4A F1 C2 30 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x00000230C2F0CBA0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{253} normal block at 0x00000230C2F12EE0, 16 bytes long.
Data: <@JñÂ0 > 40 4A F1 C2 30 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x00000230C2F14A40, 992 bytes long.
Data: <à.ñÂ0  ËðÂ0 > E0 2E F1 C2 30 02 00 00 A0 CB F0 C2 30 02 00 00
{88} normal block at 0x00000230C2F0CEA0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{87} normal block at 0x00000230C2F07990, 16 bytes long.
Data: < êðÂ0 > 80 EA F0 C2 30 02 00 00 00 00 00 00 00 00 00 00
{86} normal block at 0x00000230C2F0EA80, 40 bytes long.
Data: < yðÂ0  ÎðÂ0 > 90 79 F0 C2 30 02 00 00 A0 CE F0 C2 30 02 00 00
{65} normal block at 0x00000230C2F08110, 16 bytes long.
Data: < êa ÷ > 80 EA 61 11 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000230C2F08340, 16 bytes long.
Data: <@éa ÷ > 40 E9 61 11 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000230C2F082F0, 16 bytes long.
Data: <øW^ ÷ > F8 57 5E 11 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000230C2F080C0, 16 bytes long.
Data: <ØW^ ÷ > D8 57 5E 11 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000230C2F085C0, 16 bytes long.
Data: <P ^ ÷ > 50 04 5E 11 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000230C2F07F80, 16 bytes long.
Data: <0 ^ ÷ > 30 04 5E 11 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000230C2F07A30, 16 bytes long.
Data: <à ^ ÷ > E0 02 5E 11 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x00000230C2F08480, 16 bytes long.
Data: < ^ ÷ > 10 04 5E 11 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x00000230C2F08430, 16 bytes long.
Data: <p ^ ÷ > 70 04 5E 11 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x00000230C2F08250, 16 bytes long.
Data: < À\ ÷ > 18 C0 5C 11 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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