Task 38683440
| Name | test_243-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND4623_0 |
| Workunit | 31624997 |
| Created | 27 Oct 2026, 11:50:36 UTC |
| Sent | 27 Oct 2026, 11:50:42 UTC |
| Report deadline | 1 Nov 2026, 11:50:42 UTC |
| Received | 27 Oct 2026, 14:42:18 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 590723 |
| Run time | 51 min 44 sec |
| CPU time | 47 min 54 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 9,255.46 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 719.79 MB |
| Peak swap size | 8.37 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:51:06 (9096): wrapper (7.9.26016): starting
08:51:06 (9096): 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
08:51:07 (9096): Library/usr/bin/tar.exe exited; CPU time 0.015625
08:51:07 (9096): 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
09:41:59 (9096): C:/Windows/system32/cmd.exe exited; CPU time 2874.515625
09:41:59 (9096): 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: 47406171 bytes.
Dumping objects ->
{3835508} normal block at 0x00000244F0C05070, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835497} normal block at 0x00000244F0C05000, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835486} normal block at 0x00000244F0C04F90, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835475} normal block at 0x00000244F0C04CF0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835464} normal block at 0x00000244F0C04C10, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835433} normal block at 0x00000244F2A56230, 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) : {3835420} normal block at 0x00000244F0BFEBA0, 8 bytes long.
Data: < ñD > 00 00 20 F1 44 02 00 00
{3833967} normal block at 0x00000244F0BFE650, 8 bytes long.
Data: < 3«òD > 90 33 AB F2 44 02 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x00000244F0BF79B0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x00000244F0BEF5F0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{299} normal block at 0x00000244F0C05F40, 16 bytes long.
Data: <èkÀðD > E8 6B C0 F0 44 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000244F0C059F0, 16 bytes long.
Data: <ÀkÀðD > C0 6B C0 F0 44 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000244F0C003E0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{296} normal block at 0x00000244F0C05950, 16 bytes long.
Data: < kÀðD > 98 6B C0 F0 44 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000244F0C05900, 16 bytes long.
Data: <pkÀðD > 70 6B C0 F0 44 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000244F0C05B80, 16 bytes long.
Data: <HkÀðD > 48 6B C0 F0 44 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000244F0C06440, 16 bytes long.
Data: < kÀðD > 20 6B C0 F0 44 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000244F0C04E40, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{291} normal block at 0x00000244F0C06300, 16 bytes long.
Data: <È ¿ðD > C8 0E BF F0 44 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000244F0C00080, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{289} normal block at 0x00000244F0C06620, 16 bytes long.
Data: <  ¿ðD > A0 0E BF F0 44 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000244F0C06710, 16 bytes long.
Data: <x ¿ðD > 78 0E BF F0 44 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000244F0C05B30, 16 bytes long.
Data: <P ¿ðD > 50 0E BF F0 44 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000244F0C05A90, 16 bytes long.
Data: <( ¿ðD > 28 0E BF F0 44 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000244F0C063F0, 16 bytes long.
Data: < ¿ðD > 00 0E BF F0 44 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000244F0C06080, 16 bytes long.
Data: <Ø ¿ðD > D8 0D BF F0 44 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000244F0C000E0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{281} normal block at 0x00000244F0C05E50, 16 bytes long.
Data: <° ¿ðD > B0 0D BF F0 44 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000244F0BF0DB0, 320 bytes long.
Data: <P^ÀðD à ÀðD > 50 5E C0 F0 44 02 00 00 E0 00 C0 F0 44 02 00 00
{279} normal block at 0x00000244F0C05E00, 16 bytes long.
Data: < kÀðD > 00 6B C0 F0 44 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000244F0C05FE0, 16 bytes long.
Data: <ØjÀðD > D8 6A C0 F0 44 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000244F0C00980, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{276} normal block at 0x00000244F0C06850, 16 bytes long.
Data: <°jÀðD > B0 6A C0 F0 44 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000244F0BFFF60, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{274} normal block at 0x00000244F0C05DB0, 16 bytes long.
Data: <øiÀðD > F8 69 C0 F0 44 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000244F0C05EF0, 16 bytes long.
Data: <ÐiÀðD > D0 69 C0 F0 44 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000244F0C05D60, 16 bytes long.
Data: <¨iÀðD > A8 69 C0 F0 44 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000244F0C066C0, 16 bytes long.
Data: < iÀðD > 80 69 C0 F0 44 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000244F0C06530, 16 bytes long.
Data: <XiÀðD > 58 69 C0 F0 44 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000244F0C065D0, 16 bytes long.
Data: <0iÀðD > 30 69 C0 F0 44 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000244F0C05CC0, 16 bytes long.
Data: <PQÀðD > 50 51 C0 F0 44 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000244F0C05150, 40 bytes long.
Data: <À\ÀðD 0b¥òD > C0 5C C0 F0 44 02 00 00 30 62 A5 F2 44 02 00 00
{265} normal block at 0x00000244F0C059A0, 16 bytes long.
Data: < iÀðD > 10 69 C0 F0 44 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000244F0C05F90, 16 bytes long.
Data: <èhÀðD > E8 68 C0 F0 44 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000244F0C00C20, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{262} normal block at 0x00000244F0C06800, 16 bytes long.
Data: <ÀhÀðD > C0 68 C0 F0 44 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000244F0C068C0, 992 bytes long.
Data: < hÀðD ÀðD > 00 68 C0 F0 44 02 00 00 20 0C C0 F0 44 02 00 00
{97} normal block at 0x00000244F0C007A0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{96} normal block at 0x00000244F0BFF190, 16 bytes long.
Data: <`û¿ðD > 60 FB BF F0 44 02 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x00000244F0BFFB60, 40 bytes long.
Data: < ñ¿ðD   ÀðD > 90 F1 BF F0 44 02 00 00 A0 07 C0 F0 44 02 00 00
{74} normal block at 0x00000244F0BFEEC0, 16 bytes long.
Data: < ê °ö > 80 EA A0 B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x00000244F0BFEBF0, 16 bytes long.
Data: <@é °ö > 40 E9 A0 B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000244F0BFEA60, 16 bytes long.
Data: <øW °ö > F8 57 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000244F0BFE880, 16 bytes long.
Data: <ØW °ö > D8 57 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000244F0BFF0F0, 16 bytes long.
Data: <P °ö > 50 04 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000244F0BFEE20, 16 bytes long.
Data: <0 °ö > 30 04 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000244F0BFE830, 16 bytes long.
Data: <à °ö > E0 02 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000244F0BFE790, 16 bytes long.
Data: < °ö > 10 04 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000244F0BFE9C0, 16 bytes long.
Data: <p °ö > 70 04 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000244F0BFE7E0, 16 bytes long.
Data: < À›°ö > 18 C0 9B B0 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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