Task 38678655

Name test_693-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND6322_0
Workunit 31620466
Created 26 Oct 2026, 18:04:21 UTC
Sent 26 Oct 2026, 18:04:25 UTC
Report deadline 31 Oct 2026, 18:04:25 UTC
Received 26 Oct 2026, 18:51:29 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 619058
Run time 20 min 24 sec
CPU time 18 min 59 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 82,578.99 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 743.54 MB
Peak swap size 13.15 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:31:43 (33980): wrapper (7.9.26016): starting
12:31:43 (33980): 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
12:31:44 (33980): Library/usr/bin/tar.exe exited; CPU time 0.015625
12:31:44 (33980): 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\9\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\9\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
12:51:04 (33980): C:/Windows/system32/cmd.exe exited; CPU time 1139.640625
12:51:04 (33980): 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: 29760475 bytes.
Dumping objects ->
{3835217} normal block at 0x000001B86EDE57B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835206} normal block at 0x000001B86EDE54A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835195} normal block at 0x000001B86EDE5510, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835184} normal block at 0x000001B86EDE5580, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835173} normal block at 0x000001B86EDE5430, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835142} normal block at 0x000001B870B7A080, 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) : {3835129} normal block at 0x000001B86EDDDA80, 8 bytes long.
 Data: <  &#214;n&#184;   > 00 00 D6 6E B8 01 00 00 
{3833963} normal block at 0x000001B86EDDE840, 8 bytes long.
 Data: < A&#189;p&#184;   > 00 41 BD 70 B8 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001B86EDE1160, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001B86EDD72C0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x000001B86EDE6950, 16 bytes long.
 Data: <ht&#222;n&#184;           > 68 74 DE 6E B8 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001B86EDE70D0, 16 bytes long.
 Data: <@t&#222;n&#184;           > 40 74 DE 6E B8 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001B86EDE0250, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x000001B86EDE69F0, 16 bytes long.
 Data: < t&#222;n&#184;           > 18 74 DE 6E B8 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001B86EDE6EF0, 16 bytes long.
 Data: <&#240;s&#222;n&#184;           > F0 73 DE 6E B8 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001B86EDE6900, 16 bytes long.
 Data: <&#200;s&#222;n&#184;           > C8 73 DE 6E B8 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001B86EDE6540, 16 bytes long.
 Data: <&#160;s&#222;n&#184;           > A0 73 DE 6E B8 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001B86EDE56D0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x000001B86EDE6270, 16 bytes long.
 Data: <&#216; &#221;n&#184;           > D8 98 DD 6E B8 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001B86EDE0730, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x000001B86EDE6310, 16 bytes long.
 Data: <&#176; &#221;n&#184;           > B0 98 DD 6E B8 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001B86EDE69A0, 16 bytes long.
 Data: <  &#221;n&#184;           > 88 98 DD 6E B8 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001B86EDE6810, 16 bytes long.
 Data: <` &#221;n&#184;           > 60 98 DD 6E B8 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001B86EDE6680, 16 bytes long.
 Data: <8 &#221;n&#184;           > 38 98 DD 6E B8 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001B86EDE6B80, 16 bytes long.
 Data: <  &#221;n&#184;           > 10 98 DD 6E B8 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001B86EDE6A90, 16 bytes long.
 Data: <&#232;&#151;&#221;n&#184;           > E8 97 DD 6E B8 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001B86EDE0610, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x000001B86EDE6B30, 16 bytes long.
 Data: <&#192;&#151;&#221;n&#184;           > C0 97 DD 6E B8 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001B86EDD97C0, 320 bytes long.
 Data: <0k&#222;n&#184;     &#222;n&#184;   > 30 6B DE 6E B8 01 00 00 10 06 DE 6E B8 01 00 00 
{277} normal block at 0x000001B86EDE6360, 16 bytes long.
 Data: < s&#222;n&#184;           > 80 73 DE 6E B8 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001B86EDE65E0, 16 bytes long.
 Data: <Xs&#222;n&#184;           > 58 73 DE 6E B8 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001B86EDE0190, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x000001B86EDE6180, 16 bytes long.
 Data: <0s&#222;n&#184;           > 30 73 DE 6E B8 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001B86EDE00D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x000001B86EDE64A0, 16 bytes long.
 Data: <xr&#222;n&#184;           > 78 72 DE 6E B8 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001B86EDE67C0, 16 bytes long.
 Data: <Pr&#222;n&#184;           > 50 72 DE 6E B8 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001B86EDE6770, 16 bytes long.
 Data: <(r&#222;n&#184;           > 28 72 DE 6E B8 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001B86EDE7080, 16 bytes long.
 Data: < r&#222;n&#184;           > 00 72 DE 6E B8 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001B86EDE7030, 16 bytes long.
 Data: <&#216;q&#222;n&#184;           > D8 71 DE 6E B8 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001B86EDE6590, 16 bytes long.
 Data: <&#176;q&#222;n&#184;           > B0 71 DE 6E B8 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001B86EDE62C0, 16 bytes long.
 Data: < X&#222;n&#184;           > 20 58 DE 6E B8 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001B86EDE5820, 40 bytes long.
 Data: <&#192;b&#222;n&#184;    &#160;&#183;p&#184;   > C0 62 DE 6E B8 01 00 00 80 A0 B7 70 B8 01 00 00 
{263} normal block at 0x000001B86EDE6860, 16 bytes long.
 Data: < q&#222;n&#184;           > 90 71 DE 6E B8 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001B86EDE6630, 16 bytes long.
 Data: <hq&#222;n&#184;           > 68 71 DE 6E B8 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001B86EDE0070, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x000001B86EDE6450, 16 bytes long.
 Data: <@q&#222;n&#184;           > 40 71 DE 6E B8 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001B86EDE7140, 992 bytes long.
 Data: <Pd&#222;n&#184;   p &#222;n&#184;   > 50 64 DE 6E B8 01 00 00 70 00 DE 6E B8 01 00 00 
{95} normal block at 0x000001B86EDE0130, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000001B86EDDDD00, 16 bytes long.
 Data: <0&#250;&#221;n&#184;           > 30 FA DD 6E B8 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001B86EDDFA30, 40 bytes long.
 Data: < &#221;&#221;n&#184;   0 &#222;n&#184;   > 00 DD DD 6E B8 01 00 00 30 01 DE 6E B8 01 00 00 
{72} normal block at 0x000001B86EDDE250, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 98 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001B86EDDE0C0, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 98 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001B86EDDDFD0, 16 bytes long.
 Data: <&#248;W&#149; &#247;           > F8 57 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001B86EDDE200, 16 bytes long.
 Data: <&#216;W&#149; &#247;           > D8 57 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001B86EDDE610, 16 bytes long.
 Data: <P &#149; &#247;           > 50 04 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001B86EDDE020, 16 bytes long.
 Data: <0 &#149; &#247;           > 30 04 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001B86EDDE070, 16 bytes long.
 Data: <&#224; &#149; &#247;           > E0 02 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001B86EDDDF30, 16 bytes long.
 Data: <  &#149; &#247;           > 10 04 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001B86EDDE930, 16 bytes long.
 Data: <p &#149; &#247;           > 70 04 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001B86EDDDF80, 16 bytes long.
 Data: < &#192;&#147; &#247;           > 18 C0 93 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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