Task 38651605

Name test_956-GPUGRID_TEST_ATM_4STEP_20261023-3-4-RND4211_0
Workunit 31595949
Created 24 Oct 2026, 2:06:28 UTC
Sent 24 Oct 2026, 2:26:19 UTC
Report deadline 29 Oct 2026, 2:26:19 UTC
Received 24 Oct 2026, 5:01:29 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 615524
Run time 1 hours 47 min 18 sec
CPU time 1 hours 45 min 4 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 2,238.46 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 675.36 MB
Peak swap size 5.21 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>7.16.20</core_client_version>
<![CDATA[
<stderr_txt>
12:11:25 (35568): wrapper (7.9.26016): starting
12:11:25 (35568): 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
12:11:30 (35568): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:11:30 (35568): 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:\BOINC\slots\12\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:\BOINC\slots\12\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
13:57:17 (35568): C:/Windows/system32/cmd.exe exited; CPU time 6304.546875
13:57:17 (35568): 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: 137595993 bytes.
Dumping objects ->
{3835350} normal block at 0x000002445D260C30, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835339} normal block at 0x000002445D3A2970, 32 bytes long.
 Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835328} normal block at 0x000002445D3A2F10, 32 bytes long.
 Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835317} normal block at 0x000002445D3A2EB0, 32 bytes long.
 Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835306} normal block at 0x000002445D3A3750, 32 bytes long.
 Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C 
{3835275} normal block at 0x000002445D260990, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
..\api\boinc_api.cpp(309) : {3835262} normal block at 0x000002445B328680, 8 bytes long.
 Data: <  &#216;\D   > 00 00 D8 5C 44 02 00 00 
{3834045} normal block at 0x000002445B328900, 8 bytes long.
 Data: < H>]D   > E0 48 3E 5D 44 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000002445B333230, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002445B31CCE0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x000002445B334FE0, 16 bytes long.
 Data: <hT3[D           > 68 54 33 5B 44 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002445B334360, 16 bytes long.
 Data: <@T3[D           > 40 54 33 5B 44 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002445B32ED80, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x000002445B334C20, 16 bytes long.
 Data: < T3[D           > 18 54 33 5B 44 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002445B334310, 16 bytes long.
 Data: < S3[D           > F0 53 33 5B 44 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002445B334F40, 16 bytes long.
 Data: <&#200;S3[D           > C8 53 33 5B 44 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002445B3346D0, 16 bytes long.
 Data: < S3[D           > A0 53 33 5B 44 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002445B32E230, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x000002445B334A40, 16 bytes long.
 Data: <(&#223;2[D           > 28 DF 32 5B 44 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002445B32EA80, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x000002445B334270, 16 bytes long.
 Data: < &#223;2[D           > 00 DF 32 5B 44 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002445B3342C0, 16 bytes long.
 Data: <&#216;&#222;2[D           > D8 DE 32 5B 44 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002445B334CC0, 16 bytes long.
 Data: <&#176;&#222;2[D           > B0 DE 32 5B 44 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002445B334BD0, 16 bytes long.
 Data: < &#222;2[D           > 88 DE 32 5B 44 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002445B3349A0, 16 bytes long.
 Data: <`&#222;2[D           > 60 DE 32 5B 44 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002445B335080, 16 bytes long.
 Data: <8&#222;2[D           > 38 DE 32 5B 44 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002445B32F3E0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x000002445B334EF0, 16 bytes long.
 Data: < &#222;2[D           > 10 DE 32 5B 44 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002445B32DE10, 320 bytes long.
 Data: < N3[D     2[D   > F0 4E 33 5B 44 02 00 00 E0 F3 32 5B 44 02 00 00 
{273} normal block at 0x000002445B3349F0, 16 bytes long.
 Data: < S3[D           > 80 53 33 5B 44 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002445B334630, 16 bytes long.
 Data: <XS3[D           > 58 53 33 5B 44 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002445B32EC60, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x000002445B3341D0, 16 bytes long.
 Data: <0S3[D           > 30 53 33 5B 44 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002445B32F5C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x000002445B3344A0, 16 bytes long.
 Data: <xR3[D           > 78 52 33 5B 44 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002445B334400, 16 bytes long.
 Data: <PR3[D           > 50 52 33 5B 44 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002445B334950, 16 bytes long.
 Data: <(R3[D           > 28 52 33 5B 44 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002445B334C70, 16 bytes long.
 Data: < R3[D           > 00 52 33 5B 44 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002445B334900, 16 bytes long.
 Data: <&#216;Q3[D           > D8 51 33 5B 44 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002445B334180, 16 bytes long.
 Data: <&#176;Q3[D           > B0 51 33 5B 44 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002445B334770, 16 bytes long.
 Data: <P 2[D           > 50 E1 32 5B 44 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002445B32E150, 40 bytes long.
 Data: <pG3[D    	&]D   > 70 47 33 5B 44 02 00 00 90 09 26 5D 44 02 00 00 
{259} normal block at 0x000002445B334B30, 16 bytes long.
 Data: < Q3[D           > 90 51 33 5B 44 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002445B334B80, 16 bytes long.
 Data: <hQ3[D           > 68 51 33 5B 44 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002445B32F2C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x000002445B335030, 16 bytes long.
 Data: <@Q3[D           > 40 51 33 5B 44 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002445B335140, 992 bytes long.
 Data: <0P3[D   &#192; 2[D   > 30 50 33 5B 44 02 00 00 C0 F2 32 5B 44 02 00 00 
{91} normal block at 0x000002445B32F680, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x000002445B3284A0, 16 bytes long.
 Data: <  2[D           > A0 E2 32 5B 44 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000002445B32E2A0, 40 bytes long.
 Data: <  2[D     2[D   > A0 84 32 5B 44 02 00 00 80 F6 32 5B 44 02 00 00 
{66} normal block at 0x000002445B328450, 16 bytes long.
 Data: <                > 80 EA 19 99 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002445B328630, 16 bytes long.
 Data: <@               > 40 E9 19 99 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002445B3287C0, 16 bytes long.
 Data: < W              > F8 57 16 99 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002445B3285E0, 16 bytes long.
 Data: <&#216;W              > D8 57 16 99 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002445B328040, 16 bytes long.
 Data: <P               > 50 04 16 99 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002445B327D70, 16 bytes long.
 Data: <0               > 30 04 16 99 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002445B327FA0, 16 bytes long.
 Data: <                > E0 02 16 99 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002445B328A40, 16 bytes long.
 Data: <                > 10 04 16 99 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002445B327E60, 16 bytes long.
 Data: <p               > 70 04 16 99 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002445B327FF0, 16 bytes long.
 Data: < &#192;              > 18 C0 14 99 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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