Task 38686164
| Name | test_77-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND4715_0 |
| Workunit | 31627603 |
| Created | 28 Oct 2026, 1:02:55 UTC |
| Sent | 28 Oct 2026, 1:02:58 UTC |
| Report deadline | 2 Nov 2026, 1:02:58 UTC |
| Received | 28 Oct 2026, 2:32:24 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 628087 |
| Run time | 1 hours 22 min 52 sec |
| CPU time | 1 hours 22 min 52 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 5,809.69 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 788.28 MB |
| Peak swap size | 12.93 GB |
| Peak disk usage | 3.27 GB |
Stderr output
<core_client_version>7.16.20</core_client_version>
<![CDATA[
<stderr_txt>
09:05:43 (49616): wrapper (7.9.26016): starting
09:05:43 (49616): 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
09:05:45 (49616): Library/usr/bin/tar.exe exited; CPU time 0.015625
09:05:45 (49616): 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:\BOINCPROJECT\slots\17\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:\BOINCPROJECT\slots\17\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
10:29:57 (49616): C:/Windows/system32/cmd.exe exited; CPU time 4972.312500
10:29:57 (49616): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 158605317 bytes.
Dumping objects ->
{3835668} normal block at 0x0000016C8C6234A0, 48 bytes long.
Data: <PATH=D:\BOINCPRO> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 50 52 4F
{3835657} normal block at 0x0000016C8E7F8C80, 32 bytes long.
Data: <HOME=D:\BOINCPRO> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 50 52 4F
{3835646} normal block at 0x0000016C8E7F8DA0, 32 bytes long.
Data: <TMP=D:\BOINCPROJ> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 50 52 4F 4A
{3835635} normal block at 0x0000016C8E7F8D40, 32 bytes long.
Data: <TEMP=D:\BOINCPRO> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 50 52 4F
{3835624} normal block at 0x0000016C8E7F8CE0, 32 bytes long.
Data: <TMPDIR=D:\BOINCP> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 50
{3835593} normal block at 0x0000016C8C623190, 48 bytes long.
Data: <PATH=D:\BOINCPRO> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 50 52 4F
..\api\boinc_api.cpp(309) : {3835580} normal block at 0x0000016C8C5D1280, 8 bytes long.
Data: < l > 00 00 C4 8C 6C 01 00 00
{3834085} normal block at 0x0000016C8C5D1CD0, 8 bytes long.
Data: <p j l > 70 EB 6A 8C 6C 01 00 00
..\zip\boinc_zip.cpp(122) : {319} normal block at 0x0000016C8C5D2C40, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{304} normal block at 0x0000016C8C5C7A20, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{303} normal block at 0x0000016C8C5D7560, 16 bytes long.
Data: < t] l > 18 74 5D 8C 6C 01 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x0000016C8C5D84B0, 16 bytes long.
Data: < s] l > F0 73 5D 8C 6C 01 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x0000016C8C5CE580, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{300} normal block at 0x0000016C8C5D7880, 16 bytes long.
Data: < s] l > C8 73 5D 8C 6C 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000016C8C5D7830, 16 bytes long.
Data: < s] l > A0 73 5D 8C 6C 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000016C8C5D7F60, 16 bytes long.
Data: <xs] l > 78 73 5D 8C 6C 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000016C8C5D83C0, 16 bytes long.
Data: <Ps] l > 50 73 5D 8C 6C 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000016C8C5D5670, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{295} normal block at 0x0000016C8C5D8460, 16 bytes long.
Data: < [ l > B8 C3 5B 8C 6C 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000016C8C5CEA60, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{293} normal block at 0x0000016C8C5D7A60, 16 bytes long.
Data: < [ l > 90 C3 5B 8C 6C 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000016C8C5D77E0, 16 bytes long.
Data: <h [ l > 68 C3 5B 8C 6C 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000016C8C5D8140, 16 bytes long.
Data: <@ [ l > 40 C3 5B 8C 6C 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000016C8C5D7920, 16 bytes long.
Data: < [ l > 18 C3 5B 8C 6C 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000016C8C5D81E0, 16 bytes long.
Data: < [ l > F0 C2 5B 8C 6C 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000016C8C5D8280, 16 bytes long.
Data: < [ l > C8 C2 5B 8C 6C 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000016C8C5CE640, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{285} normal block at 0x0000016C8C5D7E20, 16 bytes long.
Data: < [ l > A0 C2 5B 8C 6C 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000016C8C5BC2A0, 320 bytes long.
Data: < ~] l @ \ l > 20 7E 5D 8C 6C 01 00 00 40 E6 5C 8C 6C 01 00 00
{283} normal block at 0x0000016C8C5D7F10, 16 bytes long.
Data: <0s] l > 30 73 5D 8C 6C 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000016C8C5D76A0, 16 bytes long.
Data: < s] l > 08 73 5D 8C 6C 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000016C8C5CE7C0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{280} normal block at 0x0000016C8C5D8410, 16 bytes long.
Data: < r] l > E0 72 5D 8C 6C 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000016C8C5CF300, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{278} normal block at 0x0000016C8C5D78D0, 16 bytes long.
Data: <(r] l > 28 72 5D 8C 6C 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000016C8C5D7EC0, 16 bytes long.
Data: < r] l > 00 72 5D 8C 6C 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000016C8C5D80F0, 16 bytes long.
Data: < q] l > D8 71 5D 8C 6C 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000016C8C5D7B00, 16 bytes long.
Data: < q] l > B0 71 5D 8C 6C 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000016C8C5D7E70, 16 bytes long.
Data: < q] l > 88 71 5D 8C 6C 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000016C8C5D1B40, 16 bytes long.
Data: <`q] l > 60 71 5D 8C 6C 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000016C8C5D1870, 16 bytes long.
Data: < V] l > E0 56 5D 8C 6C 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000016C8C5D56E0, 40 bytes long.
Data: <p ] l 1b l > 70 18 5D 8C 6C 01 00 00 90 31 62 8C 6C 01 00 00
{269} normal block at 0x0000016C8C5D1500, 16 bytes long.
Data: <@q] l > 40 71 5D 8C 6C 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000016C8C5D1DC0, 16 bytes long.
Data: < q] l > 18 71 5D 8C 6C 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000016C8C5CEF40, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{266} normal block at 0x0000016C8C5D1820, 16 bytes long.
Data: < p] l > F0 70 5D 8C 6C 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000016C8C5D70F0, 992 bytes long.
Data: < ] l @ \ l > 20 18 5D 8C 6C 01 00 00 40 EF 5C 8C 6C 01 00 00
{101} normal block at 0x0000016C8C5CF2A0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{100} normal block at 0x0000016C8C5D1550, 16 bytes long.
Data: < V] l > 00 56 5D 8C 6C 01 00 00 00 00 00 00 00 00 00 00
{99} normal block at 0x0000016C8C5D5600, 40 bytes long.
Data: <P ] l \ l > 50 15 5D 8C 6C 01 00 00 A0 F2 5C 8C 6C 01 00 00
{76} normal block at 0x0000016C8C5D1D70, 16 bytes long.
Data: < > 80 EA 19 FB F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x0000016C8C5D2090, 16 bytes long.
Data: <@ > 40 E9 19 FB F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x0000016C8C5D13C0, 16 bytes long.
Data: < W > F8 57 16 FB F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000016C8C5D1230, 16 bytes long.
Data: < W > D8 57 16 FB F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000016C8C5D1910, 16 bytes long.
Data: <P > 50 04 16 FB F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000016C8C5D1E60, 16 bytes long.
Data: <0 > 30 04 16 FB F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000016C8C5D1FA0, 16 bytes long.
Data: < > E0 02 16 FB F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000016C8C5D16E0, 16 bytes long.
Data: < > 10 04 16 FB F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000016C8C5D1BE0, 16 bytes long.
Data: <p > 70 04 16 FB F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000016C8C5D1A00, 16 bytes long.
Data: < > 18 C0 14 FB F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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